10-pyrrolidin-1-yloxecan-2-one

C13H23NO2 — CID 71282552

IUPAC10-pyrrolidin-1-yloxecan-2-one
SMILESO=C1CCCCCCCC(N2CCCC2)O1
InChIInChI=1S/C13H23NO2/c15-13-9-5-3-1-2-4-8-12(16-13)14-10-6-7-11-14/h12H,1-11H2
InChIKeyRVWSTFJWGZLRDT-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.70
Rot. Bonds1

About 10-pyrrolidin-1-yloxecan-2-one

10-pyrrolidin-1-yloxecan-2-one (PubChem CID 71282552) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 10-pyrrolidin-1-yloxecan-2-one.

Molecular Properties

Compound Name10-pyrrolidin-1-yloxecan-2-one
PubChem CID71282552
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name10-pyrrolidin-1-yloxecan-2-one
SMILESO=C1CCCCCCCC(N2CCCC2)O1
InChIInChI=1S/C13H23NO2/c15-13-9-5-3-1-2-4-8-12(16-13)14-10-6-7-11-14/h12H,1-11H2
InChIKeyRVWSTFJWGZLRDT-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-pyrrolidin-1-yloxecan-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 10-pyrrolidin-1-yloxecan-2-one?
The IUPAC name of 10-pyrrolidin-1-yloxecan-2-one (CID 71282552) is 10-pyrrolidin-1-yloxecan-2-one.
What is the SMILES notation for 10-pyrrolidin-1-yloxecan-2-one?
The canonical SMILES for 10-pyrrolidin-1-yloxecan-2-one is O=C1CCCCCCCC(N2CCCC2)O1.
What is the InChIKey of 10-pyrrolidin-1-yloxecan-2-one?
The InChIKey is RVWSTFJWGZLRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13-9-5-3-1-2-4-8-12(16-13)14-10-6-7-11-14/h12H,1-11H2.
What are the key properties of 10-pyrrolidin-1-yloxecan-2-one?
10-pyrrolidin-1-yloxecan-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyrrolidin-1-yloxecan-2-one is sourced from PubChem (CID 71282552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).