(8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one

C9H13NO — CID 130703394

IUPAC(8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
SMILESCC1=CC(=O)C[C@@H]2CCCN12
InChIInChI=1S/C9H13NO/c1-7-5-9(11)6-8-3-2-4-10(7)8/h5,8H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyWVKZRGGLYUUZDU-QMMMGPOBSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one

(8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one (PubChem CID 130703394) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name(8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
PubChem CID130703394
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
SMILESCC1=CC(=O)C[C@@H]2CCCN12
InChIInChI=1S/C9H13NO/c1-7-5-9(11)6-8-3-2-4-10(7)8/h5,8H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyWVKZRGGLYUUZDU-QMMMGPOBSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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Related Compounds

7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 51031307
(8aS)-5-hexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
CID 42605085
(8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 58681493
6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
CID 86234429
7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 78385872
2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 166050550
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
2-propan-2-ylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one
CID 132538717
2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61369779
1-hydroxy-4-methyl-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-2,11-dione
CID 135456817
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913

Frequently Asked Questions

What is the IUPAC name of (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
The IUPAC name of (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one (CID 130703394) is (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one.
What is the SMILES notation for (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
The canonical SMILES for (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one is CC1=CC(=O)C[C@@H]2CCCN12.
What is the InChIKey of (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
The InChIKey is WVKZRGGLYUUZDU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-5-9(11)6-8-3-2-4-10(7)8/h5,8H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
(8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one is sourced from PubChem (CID 130703394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).