(8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C9H15NO — CID 10964715

IUPAC(8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESC[C@@H]1CCC(=O)N2CCC[C@@H]12
InChIInChI=1S/C9H15NO/c1-7-4-5-9(11)10-6-2-3-8(7)10/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyGDVVFVRMOYOIJR-SFYZADRCSA-N
MW153.23 g/mol
LogP1.41
Rot. Bonds

About (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 10964715) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID10964715
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESC[C@@H]1CCC(=O)N2CCC[C@@H]12
InChIInChI=1S/C9H15NO/c1-7-4-5-9(11)10-6-2-3-8(7)10/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyGDVVFVRMOYOIJR-SFYZADRCSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44364543
CID 44364543
CID 11789283
CID 11789283
CID 102379500
CID 102379500
CID 16059882
CID 16059882
CID 5325713
CID 5325713
CID 10845124
CID 10845124
CID 11051727
CID 11051727
CID 14866501
CID 14866501
CID 134980915
CID 134980915
CID 10679829
CID 10679829
CID 118400695
CID 118400695
CID 118400697
CID 118400697

Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 10964715) is (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is C[C@@H]1CCC(=O)N2CCC[C@@H]12.
What is the InChIKey of (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is GDVVFVRMOYOIJR-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-9(11)10-6-2-3-8(7)10/h7-8H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 153.23 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-8-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 10964715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).