(3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one

C15H20N2O — CID 11086018

IUPAC(3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
SMILESCc1ccc(N2C(=O)[C@H](C)N3CCCC[C@@H]23)cc1
InChIInChI=1S/C15H20N2O/c1-11-6-8-13(9-7-11)17-14-5-3-4-10-16(14)12(2)15(17)18/h6-9,12,14H,3-5,10H2,1-2H3/t12-,14+/m0/s1
InChIKeyKMWJRYIDAWXTLL-GXTWGEPZSA-N
MW244.34 g/mol
LogP2.54
Rot. Bonds1

About (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one

(3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one (PubChem CID 11086018) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name(3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
PubChem CID11086018
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
SMILESCc1ccc(N2C(=O)[C@H](C)N3CCCC[C@@H]23)cc1
InChIInChI=1S/C15H20N2O/c1-11-6-8-13(9-7-11)17-14-5-3-4-10-16(14)12(2)15(17)18/h6-9,12,14H,3-5,10H2,1-2H3/t12-,14+/m0/s1
InChIKeyKMWJRYIDAWXTLL-GXTWGEPZSA-N
XLogP2.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,8aS)-1-(4-methylphenyl)-3-(2-methylpropyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
CID 11140702
(3S,7aS)-1-(4-methylphenyl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one
CID 135034674
(3S,8aR)-5-(benzotriazol-2-yl)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
CID 10926512
(3S,9aR)-1,3-diphenyl-5,6,7,8,9,9a-hexahydro-3H-imidazo[1,2-a]azepin-2-one
CID 162399827
(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
2-(4-iodophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932814
2-(4-chlorophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932722
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
(5S)-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 2376088
1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene
CID 159349569
N-cyclohexyl-2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2439184
(5S)-3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9319988

Frequently Asked Questions

What is the IUPAC name of (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one?
The IUPAC name of (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one (CID 11086018) is (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one?
The canonical SMILES for (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one is Cc1ccc(N2C(=O)[C@H](C)N3CCCC[C@@H]23)cc1.
What is the InChIKey of (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one?
The InChIKey is KMWJRYIDAWXTLL-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-6-8-13(9-7-11)17-14-5-3-4-10-16(14)12(2)15(17)18/h6-9,12,14H,3-5,10H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one?
(3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8aR)-3-methyl-1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 11086018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).