2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde

C12H19NO — CID 174459406

IUPAC2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde
SMILESCCC=C1CC2CC(C=O)CCN2C1
InChIInChI=1S/C12H19NO/c1-2-3-10-6-12-7-11(9-14)4-5-13(12)8-10/h3,9,11-12H,2,4-8H2,1H3
InChIKeyNZRYWJCIEVBSOO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.01
Rot. Bonds2

About 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde

2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde (PubChem CID 174459406) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde.

Molecular Properties

Compound Name2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde
PubChem CID174459406
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde
SMILESCCC=C1CC2CC(C=O)CCN2C1
InChIInChI=1S/C12H19NO/c1-2-3-10-6-12-7-11(9-14)4-5-13(12)8-10/h3,9,11-12H,2,4-8H2,1H3
InChIKeyNZRYWJCIEVBSOO-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde 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 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde?
The IUPAC name of 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde (CID 174459406) is 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde.
What is the SMILES notation for 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde?
The canonical SMILES for 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde is CCC=C1CC2CC(C=O)CCN2C1.
What is the InChIKey of 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde?
The InChIKey is NZRYWJCIEVBSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-10-6-12-7-11(9-14)4-5-13(12)8-10/h3,9,11-12H,2,4-8H2,1H3.
What are the key properties of 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde?
2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde has a molecular weight of 193.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-7-carbaldehyde is sourced from PubChem (CID 174459406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).