3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one

C13H15NO — CID 135039494

IUPAC3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one
SMILESCCCC#Cc1ccc2n1CCCC2=O
InChIInChI=1S/C13H15NO/c1-2-3-4-6-11-8-9-12-13(15)7-5-10-14(11)12/h8-9H,2-3,5,7,10H2,1H3
InChIKeyOWQQKJGKPBMWNG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.62
Rot. Bonds1

About 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one

3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one (PubChem CID 135039494) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one
PubChem CID135039494
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one
SMILESCCCC#Cc1ccc2n1CCCC2=O
InChIInChI=1S/C13H15NO/c1-2-3-4-6-11-8-9-12-13(15)7-5-10-14(11)12/h8-9H,2-3,5,7,10H2,1H3
InChIKeyOWQQKJGKPBMWNG-UHFFFAOYSA-N
XLogP2.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-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 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one (CID 135039494) is 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one is CCCC#Cc1ccc2n1CCCC2=O.
What is the InChIKey of 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is OWQQKJGKPBMWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-3-4-6-11-8-9-12-13(15)7-5-10-14(11)12/h8-9H,2-3,5,7,10H2,1H3.
What are the key properties of 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one?
3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 201.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 135039494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).