(3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide

C13H22N2O2 — CID 58195209

IUPAC(3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CC[C@H]2CC[C@H](C)C(=O)N21
InChIInChI=1S/C13H22N2O2/c1-8(2)14-12(16)11-7-6-10-5-4-9(3)13(17)15(10)11/h8-11H,4-7H2,1-3H3,(H,14,16)/t9-,10+,11-/m0/s1
InChIKeyMLAQYHHQIMRTJY-AXFHLTTASA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds2

About (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide

(3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide (PubChem CID 58195209) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide
PubChem CID58195209
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CC[C@H]2CC[C@H](C)C(=O)N21
InChIInChI=1S/C13H22N2O2/c1-8(2)14-12(16)11-7-6-10-5-4-9(3)13(17)15(10)11/h8-11H,4-7H2,1-3H3,(H,14,16)/t9-,10+,11-/m0/s1
InChIKeyMLAQYHHQIMRTJY-AXFHLTTASA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide?
The IUPAC name of (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide (CID 58195209) is (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide.
What is the SMILES notation for (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide?
The canonical SMILES for (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide is CC(C)NC(=O)[C@@H]1CC[C@H]2CC[C@H](C)C(=O)N21.
What is the InChIKey of (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide?
The InChIKey is MLAQYHHQIMRTJY-AXFHLTTASA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)14-12(16)11-7-6-10-5-4-9(3)13(17)15(10)11/h8-11H,4-7H2,1-3H3,(H,14,16)/t9-,10+,11-/m0/s1.
What are the key properties of (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide?
(3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,8aR)-6-methyl-5-oxo-N-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide is sourced from PubChem (CID 58195209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).