(8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one

C14H21NO — CID 135055521

IUPAC(8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
SMILESO=C1C=C(C2CCCCC2)N2CCC[C@@H]2C1
InChIInChI=1S/C14H21NO/c16-13-9-12-7-4-8-15(12)14(10-13)11-5-2-1-3-6-11/h10-12H,1-9H2/t12-/m1/s1
InChIKeyJCSORIQXMMOZGY-GFCCVEGCSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds1

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

(8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one (PubChem CID 135055521) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name(8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
PubChem CID135055521
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
SMILESO=C1C=C(C2CCCCC2)N2CCC[C@@H]2C1
InChIInChI=1S/C14H21NO/c16-13-9-12-7-4-8-15(12)14(10-13)11-5-2-1-3-6-11/h10-12H,1-9H2/t12-/m1/s1
InChIKeyJCSORIQXMMOZGY-GFCCVEGCSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one 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 (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
The IUPAC name of (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one (CID 135055521) is (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one.
What is the SMILES notation for (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
The canonical SMILES for (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one is O=C1C=C(C2CCCCC2)N2CCC[C@@H]2C1.
What is the InChIKey of (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
The InChIKey is JCSORIQXMMOZGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO/c16-13-9-12-7-4-8-15(12)14(10-13)11-5-2-1-3-6-11/h10-12H,1-9H2/t12-/m1/s1.
What are the key properties of (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
(8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one has a molecular weight of 219.33 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-5-cyclohexyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one is sourced from PubChem (CID 135055521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).