5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one

C12H17NO — CID 24887165

IUPAC5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one
SMILESC=C1CC(CC)N2C(=O)CCC2C1=C
InChIInChI=1S/C12H17NO/c1-4-10-7-8(2)9(3)11-5-6-12(14)13(10)11/h10-11H,2-7H2,1H3
InChIKeyKQZCJZTUOGFFQI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.27
Rot. Bonds1

About 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one

5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one (PubChem CID 24887165) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one
PubChem CID24887165
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one
SMILESC=C1CC(CC)N2C(=O)CCC2C1=C
InChIInChI=1S/C12H17NO/c1-4-10-7-8(2)9(3)11-5-6-12(14)13(10)11/h10-11H,2-7H2,1H3
InChIKeyKQZCJZTUOGFFQI-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-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 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one?
The IUPAC name of 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one (CID 24887165) is 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one.
What is the SMILES notation for 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one?
The canonical SMILES for 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one is C=C1CC(CC)N2C(=O)CCC2C1=C.
What is the InChIKey of 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one?
The InChIKey is KQZCJZTUOGFFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-10-7-8(2)9(3)11-5-6-12(14)13(10)11/h10-11H,2-7H2,1H3.
What are the key properties of 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one?
5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one has a molecular weight of 191.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,8-dimethylidene-2,5,6,8a-tetrahydro-1H-indolizin-3-one is sourced from PubChem (CID 24887165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).