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

C10H17NO — CID 163815159

IUPAC(2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESCC[C@H]1CC2CC(=O)CCN2C1
InChIInChI=1S/C10H17NO/c1-2-8-5-9-6-10(12)3-4-11(9)7-8/h8-9H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyNQRHSHVVFRXTFQ-IENPIDJESA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds1

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

(2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (PubChem CID 163815159) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name(2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
PubChem CID163815159
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESCC[C@H]1CC2CC(=O)CCN2C1
InChIInChI=1S/C10H17NO/c1-2-8-5-9-6-10(12)3-4-11(9)7-8/h8-9H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyNQRHSHVVFRXTFQ-IENPIDJESA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
CID 164802583
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
3-ethyl-1-azabicyclo[3.1.0]hexane
CID 59715797
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
CID 64741839
2-azido-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 23076672
3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one
CID 114509040
3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
CID 79619295
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
(2R)-2-ethyl-1-methylpiperidin-4-one
CID 143740711
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
CID 114501314
3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one
CID 79642919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The IUPAC name of (2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (CID 163815159) is (2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.
What is the SMILES notation for (2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The canonical SMILES for (2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is CC[C@H]1CC2CC(=O)CCN2C1.
What is the InChIKey of (2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The InChIKey is NQRHSHVVFRXTFQ-IENPIDJESA-N. The full InChI is InChI=1S/C10H17NO/c1-2-8-5-9-6-10(12)3-4-11(9)7-8/h8-9H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
(2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is sourced from PubChem (CID 163815159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).