1H-Pyrrole-3-carbonitrile,2,5-dihydro-4-hydroxy-1-(1-methylethyl)-2-oxo-(9CI) (CAS 400081-61-0) — formula C8H10N2O2, molecular weight 166.18; category organic chemicals.
| CAS Number | 400081-61-0 |
|---|---|
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.18 |
| LogP | 0.5 |
| Category | Organic Chemicals |
1H-Pyrrole-3-carbonitrile,2,5-dihydro-4-hydroxy-1-(1-methylethyl)-2-oxo-(9CI) is a carbon-based organic compound with CAS registry number 400081-61-0 and molecular formula C8H10N2O2 (molecular weight 166.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 400081-61-0
Its molecular formula C8H10N2O2 comprises 8 C, 10 H, 2 N, 2 O atoms.
Also known as: 1H-Pyrrole-3-carbonitrile,2,5-dihydro-4-hydroxy-1-(1-methylethyl)-2-oxo-(9CI) · 1H-吡咯-3-甲腈,2,5-二氢-4-羟基-1-(1-甲基乙基)-2-氧代-(9Cl)
Category: organic chemicals
The CAS registry number of 1H-Pyrrole-3-carbonitrile,2,5-dihydro-4-hydroxy-1-(1-methylethyl)-2-oxo-(9CI) is 400081-61-0.
Molecular formula C8H10N2O2, molecular weight 166.18.
It is also registered under: 1H-Pyrrole-3-carbonitrile,2,5-dihydro-4-hydroxy-1-(1-methylethyl)-2-oxo-(9CI), 1H-吡咯-3-甲腈,2,5-二氢-4-羟基-1-(1-甲基乙基)-2-氧代-(9Cl).
Category: Organic Chemicals.
Independent reference data for 1H-Pyrrole-3-carbonitrile,2,5-dihydro-4-hydroxy-1-(1-methylethyl)-2-oxo-(9CI) (CAS 400081-61-0), compiled from public chemistry databases.
| CAS 号 | 400081-61-0 |
|---|---|
| PubChem CID | 54694069 |
| 分子式 | C8H10N2O2 |
| IUPAC 名称 | 3-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-4-carbonitrile |
| Molecular Weight | 166.18 |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 166.074227566 |
| Monoisotopic Mass | 166.074227566 |
| Topological Polar Surface Area | 64.3 |
| Heavy Atom Count | 12 |
400081-61-0; 4-hydroxy-1-isopropyl-2-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile; Oprea1_396529; 4-hydroxy-2-oxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrole-3-carbonitrile; AKOS015992740; 4E-315S; DB-268219; 1H-PYRROLE-3-CARBONITRILE, 2,5-DIHYDRO-4-HYDROXY-1-(1-METHYLETHYL)-2-OXO-
1H-吡咯-3-甲腈,2,5-二氢-4-羟基-1-(1-甲基乙基)-2-氧代-(9Cl) · CAS 400081-61-0 · C8H10N2O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.