2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one

C11H10N2O2 — CID 20899687

IUPAC2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one
SMILESCC12C=C(O)C(=O)N1c1ccccc1N2
InChIInChI=1S/C11H10N2O2/c1-11-6-9(14)10(15)13(11)8-5-3-2-4-7(8)12-11/h2-6,12,14H,1H3
InChIKeyHKDRWNBCYUOITP-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.62
Rot. Bonds

About 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one

2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one (PubChem CID 20899687) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one
PubChem CID20899687
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one
SMILESCC12C=C(O)C(=O)N1c1ccccc1N2
InChIInChI=1S/C11H10N2O2/c1-11-6-9(14)10(15)13(11)8-5-3-2-4-7(8)12-11/h2-6,12,14H,1H3
InChIKeyHKDRWNBCYUOITP-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS)-2-hydroxy-3a-(4-methylphenyl)-4H-pyrrolo[1,2-a]benzimidazol-1-one
CID 29098123
(3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one
CID 51852282
2,2-dimethyl-3-phenyl-1H-benzimidazole
CID 145358032
acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium
CID 146166147
(3aS)-3a-propyl-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
CID 41286244
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
(3aS)-3a-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
CID 86337079
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605
4a-methyl-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-1-thione
CID 10331030
ethyl (2R)-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 98459518
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
3,3-dimethyl-1-prop-2-ynyl-4H-quinoxalin-2-one
CID 71692507

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one?
The IUPAC name of 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one (CID 20899687) is 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one?
The canonical SMILES for 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one is CC12C=C(O)C(=O)N1c1ccccc1N2.
What is the InChIKey of 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one?
The InChIKey is HKDRWNBCYUOITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-11-6-9(14)10(15)13(11)8-5-3-2-4-7(8)12-11/h2-6,12,14H,1H3.
What are the key properties of 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one?
2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one has a molecular weight of 202.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 20899687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).