(8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one

C9H13NO — CID 11815946

IUPAC(8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
SMILESCC1=CCC(=O)N2CCC[C@@H]12
InChIInChI=1S/C9H13NO/c1-7-4-5-9(11)10-6-2-3-8(7)10/h4,8H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyIRPQISJRGTUBDC-QMMMGPOBSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one

(8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 11815946) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
PubChem CID11815946
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
SMILESCC1=CCC(=O)N2CCC[C@@H]12
InChIInChI=1S/C9H13NO/c1-7-4-5-9(11)10-6-2-3-8(7)10/h4,8H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyIRPQISJRGTUBDC-QMMMGPOBSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-1-acetyl-4-methyl-2,6-diprop-2-enyl-1,2,5,6-tetrahydropyridine
CID 726193
2-methyl-6,7,8,8a-tetrahydro-3(5H)-indolizinone
CID 13331588
2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 13331589
1-Cyclohex-2-en-1-ylpyrrolidin-2-one
CID 14074666
1,5,6,8a-tetrahydro-3(2H)-indolizinone
CID 10887976
7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 51031307
(8aS)-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 10866395
7-Methyl-1,2,5,8-tetrahydropyrrolizin-3-one
CID 11829507
8-methyl-2,5,6,8a-tetrahydro-1H-indolizin-3-one
CID 12913464
(S)-2-Methyl-5,6,7,7a-tetrahydro-3H-pyrrolizin-3-one
CID 15248425
(8S)-2-methyl-5,6,7,8-tetrahydropyrrolizin-3-one
CID 15248426
(1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one
CID 15933773

Frequently Asked Questions

What is the IUPAC name of (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one (CID 11815946) is (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one is CC1=CCC(=O)N2CCC[C@@H]12.
What is the InChIKey of (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is IRPQISJRGTUBDC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-5-9(11)10-6-2-3-8(7)10/h4,8H,2-3,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one?
(8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 11815946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).