5-methoxy-1-pyrrolidin-1-ylpentan-1-one

C10H19NO2 — CID 10954236

IUPAC5-methoxy-1-pyrrolidin-1-ylpentan-1-one
SMILESCOCCCCC(=O)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-13-9-5-2-6-10(12)11-7-3-4-8-11/h2-9H2,1H3
InChIKeyNPANGIOWJPDPLM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.43
Rot. Bonds5

About 5-methoxy-1-pyrrolidin-1-ylpentan-1-one

5-methoxy-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 10954236) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-methoxy-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name5-methoxy-1-pyrrolidin-1-ylpentan-1-one
PubChem CID10954236
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-methoxy-1-pyrrolidin-1-ylpentan-1-one
SMILESCOCCCCC(=O)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-13-9-5-2-6-10(12)11-7-3-4-8-11/h2-9H2,1H3
InChIKeyNPANGIOWJPDPLM-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methoxy-1-pyrrolidin-1-ylpentan-1-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-methoxy-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 5-methoxy-1-pyrrolidin-1-ylpentan-1-one (CID 10954236) is 5-methoxy-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 5-methoxy-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 5-methoxy-1-pyrrolidin-1-ylpentan-1-one is COCCCCC(=O)N1CCCC1.
What is the InChIKey of 5-methoxy-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is NPANGIOWJPDPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-13-9-5-2-6-10(12)11-7-3-4-8-11/h2-9H2,1H3.
What are the key properties of 5-methoxy-1-pyrrolidin-1-ylpentan-1-one?
5-methoxy-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 10954236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).