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

C9H16N2O — CID 13092230

IUPAC8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one
SMILESCC1(C)CCC(=O)N2CCNC21
InChIInChI=1S/C9H16N2O/c1-9(2)4-3-7(12)11-6-5-10-8(9)11/h8,10H,3-6H2,1-2H3
InChIKeyPWIRMXWOKSYSHT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.56
Rot. Bonds

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

8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one (PubChem CID 13092230) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one
PubChem CID13092230
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one
SMILESCC1(C)CCC(=O)N2CCNC21
InChIInChI=1S/C9H16N2O/c1-9(2)4-3-7(12)11-6-5-10-8(9)11/h8,10H,3-6H2,1-2H3
InChIKeyPWIRMXWOKSYSHT-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one (CID 13092230) is 8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one is CC1(C)CCC(=O)N2CCNC21.
What is the InChIKey of 8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is PWIRMXWOKSYSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2)4-3-7(12)11-6-5-10-8(9)11/h8,10H,3-6H2,1-2H3.
What are the key properties of 8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one?
8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 168.24 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 13092230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).