2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one

C7H12N2O — CID 69461163

IUPAC2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one
SMILESO=C1CCCN2CNCC12
InChIInChI=1S/C7H12N2O/c10-7-2-1-3-9-5-8-4-6(7)9/h6,8H,1-5H2
InChIKeyWGHXOUVMRVSTMD-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.42
Rot. Bonds

About 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one

2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one (PubChem CID 69461163) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one.

Molecular Properties

Compound Name2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one
PubChem CID69461163
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one
SMILESO=C1CCCN2CNCC12
InChIInChI=1S/C7H12N2O/c10-7-2-1-3-9-5-8-4-6(7)9/h6,8H,1-5H2
InChIKeyWGHXOUVMRVSTMD-UHFFFAOYSA-N
XLogP-0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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7-(2-oxocyclopentyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091658
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2-(4-ethylpiperazin-1-yl)cyclohexan-1-one
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CID 60782148
2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione
CID 154483696
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cycloheptan-1-one
CID 115560597
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one
CID 62885728
2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one?
The IUPAC name of 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one (CID 69461163) is 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one.
What is the SMILES notation for 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one?
The canonical SMILES for 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one is O=C1CCCN2CNCC12.
What is the InChIKey of 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one?
The InChIKey is WGHXOUVMRVSTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-2-1-3-9-5-8-4-6(7)9/h6,8H,1-5H2.
What are the key properties of 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one?
2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one has a molecular weight of 140.19 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one is sourced from PubChem (CID 69461163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).