3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one

C10H15NO — CID 85316448

IUPAC3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one
SMILESC=CCC1C(=O)CC2CCCN21
InChIInChI=1S/C10H15NO/c1-2-4-9-10(12)7-8-5-3-6-11(8)9/h2,8-9H,1,3-7H2
InChIKeyAAJMIYXQWLCIOO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.37
Rot. Bonds2

About 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one

3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one (PubChem CID 85316448) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one.

Molecular Properties

Compound Name3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one
PubChem CID85316448
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one
SMILESC=CCC1C(=O)CC2CCCN21
InChIInChI=1S/C10H15NO/c1-2-4-9-10(12)7-8-5-3-6-11(8)9/h2,8-9H,1,3-7H2
InChIKeyAAJMIYXQWLCIOO-UHFFFAOYSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-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-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one?
The IUPAC name of 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one (CID 85316448) is 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one.
What is the SMILES notation for 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one?
The canonical SMILES for 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one is C=CCC1C(=O)CC2CCCN21.
What is the InChIKey of 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one?
The InChIKey is AAJMIYXQWLCIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-4-9-10(12)7-8-5-3-6-11(8)9/h2,8-9H,1,3-7H2.
What are the key properties of 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one?
3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,3,5,6,7,8-hexahydropyrrolizin-2-one is sourced from PubChem (CID 85316448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).