(5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C10H17NO — CID 11367214

IUPAC(5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC[C@@H]1C[C@H]2CCC(=O)N2[C@H](C)C1
InChIInChI=1S/C10H17NO/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h7-9H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyWKJNGSQWLNBWEB-DJLDLDEBSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds

About (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 11367214) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID11367214
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC[C@@H]1C[C@H]2CCC(=O)N2[C@H](C)C1
InChIInChI=1S/C10H17NO/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h7-9H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyWKJNGSQWLNBWEB-DJLDLDEBSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

(5R,8aR)-7-chloro-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 13466918
6-methyl-1-azabicyclo[3.1.0]hexan-2-one
CID 143719689
(6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 24882128
(5S,9aR)-5-methoxy-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 102314656
(5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11829854
6-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131876212
2-cyclopentyl-3-(3,5-dimethylcyclohexyl)imidazolidin-4-one
CID 83259228
11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one
CID 162907535
2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79945145
(1R,7S,9R,11S,13S,17S)-11-methyl-17-oxido-2-aza-17-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-3-one
CID 163194231
(2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one
CID 102300255
(4R)-1-cyclohexyl-4-methylazetidin-2-one
CID 177433299

Frequently Asked Questions

What is the IUPAC name of (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 11367214) is (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is C[C@@H]1C[C@H]2CCC(=O)N2[C@H](C)C1.
What is the InChIKey of (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is WKJNGSQWLNBWEB-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h7-9H,3-6H2,1-2H3/t7-,8+,9+/m0/s1.
What are the key properties of (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 11367214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).