5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C10H15NO2 — CID 539626

IUPAC5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(=O)CC1CCC2CCC(=O)N21
InChIInChI=1S/C10H15NO2/c1-7(12)6-9-3-2-8-4-5-10(13)11(8)9/h8-9H,2-6H2,1H3
InChIKeyIKYMVCSCLTZRGR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.12
Rot. Bonds2

About 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 539626) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID539626
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(=O)CC1CCC2CCC(=O)N21
InChIInChI=1S/C10H15NO2/c1-7(12)6-9-3-2-8-4-5-10(13)11(8)9/h8-9H,2-6H2,1H3
InChIKeyIKYMVCSCLTZRGR-UHFFFAOYSA-N
XLogP1.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-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-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 539626) is 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(=O)CC1CCC2CCC(=O)N21.
What is the InChIKey of 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is IKYMVCSCLTZRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(12)6-9-3-2-8-4-5-10(13)11(8)9/h8-9H,2-6H2,1H3.
What are the key properties of 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 181.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 539626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).