4-butoxypyrrolidin-2-one

C8H15NO2 — CID 23037464

IUPAC4-butoxypyrrolidin-2-one
SMILESCCCCOC1CNC(=O)C1
InChIInChI=1S/C8H15NO2/c1-2-3-4-11-7-5-8(10)9-6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyQHAMUKZUHQVPDG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds4

About 4-butoxypyrrolidin-2-one

4-butoxypyrrolidin-2-one (PubChem CID 23037464) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-butoxypyrrolidin-2-one.

Molecular Properties

Compound Name4-butoxypyrrolidin-2-one
PubChem CID23037464
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-butoxypyrrolidin-2-one
SMILESCCCCOC1CNC(=O)C1
InChIInChI=1S/C8H15NO2/c1-2-3-4-11-7-5-8(10)9-6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyQHAMUKZUHQVPDG-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-butoxypyrrolidin-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 4-butoxypyrrolidin-2-one?
The IUPAC name of 4-butoxypyrrolidin-2-one (CID 23037464) is 4-butoxypyrrolidin-2-one.
What is the SMILES notation for 4-butoxypyrrolidin-2-one?
The canonical SMILES for 4-butoxypyrrolidin-2-one is CCCCOC1CNC(=O)C1.
What is the InChIKey of 4-butoxypyrrolidin-2-one?
The InChIKey is QHAMUKZUHQVPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-11-7-5-8(10)9-6-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of 4-butoxypyrrolidin-2-one?
4-butoxypyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxypyrrolidin-2-one is sourced from PubChem (CID 23037464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).