3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one

C11H18N2O — CID 3162233

IUPAC3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
SMILESCC12CCC(=O)N1C1CCCCC1N2
InChIInChI=1S/C11H18N2O/c1-11-7-6-10(14)13(11)9-5-3-2-4-8(9)12-11/h8-9,12H,2-7H2,1H3
InChIKeyQVZRIYOVGFHMGY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.24
Rot. Bonds

About 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one

3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one (PubChem CID 3162233) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
PubChem CID3162233
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
SMILESCC12CCC(=O)N1C1CCCCC1N2
InChIInChI=1S/C11H18N2O/c1-11-7-6-10(14)13(11)9-5-3-2-4-8(9)12-11/h8-9,12H,2-7H2,1H3
InChIKeyQVZRIYOVGFHMGY-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one?
The IUPAC name of 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one (CID 3162233) is 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one?
The canonical SMILES for 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one is CC12CCC(=O)N1C1CCCCC1N2.
What is the InChIKey of 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one?
The InChIKey is QVZRIYOVGFHMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11-7-6-10(14)13(11)9-5-3-2-4-8(9)12-11/h8-9,12H,2-7H2,1H3.
What are the key properties of 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one?
3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one has a molecular weight of 194.28 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 3162233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).