1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one

C8H14N2O — CID 58645319

IUPAC1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
SMILESCN1C(=O)CN2CCCCC21
InChIInChI=1S/C8H14N2O/c1-9-7-4-2-3-5-10(7)6-8(9)11/h7H,2-6H2,1H3
InChIKeyQBVSMGOAHFCIET-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.27
Rot. Bonds

About 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one

1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one (PubChem CID 58645319) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
PubChem CID58645319
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
SMILESCN1C(=O)CN2CCCCC21
InChIInChI=1S/C8H14N2O/c1-9-7-4-2-3-5-10(7)6-8(9)11/h7H,2-6H2,1H3
InChIKeyQBVSMGOAHFCIET-UHFFFAOYSA-N
XLogP0.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one?
The IUPAC name of 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one (CID 58645319) is 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one?
The canonical SMILES for 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one is CN1C(=O)CN2CCCCC21.
What is the InChIKey of 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one?
The InChIKey is QBVSMGOAHFCIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-9-7-4-2-3-5-10(7)6-8(9)11/h7H,2-6H2,1H3.
What are the key properties of 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one?
1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 58645319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).