4-(4-butoxyphenyl)pyrrolidin-2-one

C14H19NO2 — CID 14537165

IUPAC4-(4-butoxyphenyl)pyrrolidin-2-one
SMILESCCCCOc1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-2-3-8-17-13-6-4-11(5-7-13)12-9-14(16)15-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyCAECIASHQVBHQZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds5

About 4-(4-butoxyphenyl)pyrrolidin-2-one

4-(4-butoxyphenyl)pyrrolidin-2-one (PubChem CID 14537165) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-butoxyphenyl)pyrrolidin-2-one
PubChem CID14537165
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(4-butoxyphenyl)pyrrolidin-2-one
SMILESCCCCOc1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-2-3-8-17-13-6-4-11(5-7-13)12-9-14(16)15-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyCAECIASHQVBHQZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-butoxyphenyl)pyrrolidin-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-(4-butoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-butoxyphenyl)pyrrolidin-2-one (CID 14537165) is 4-(4-butoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-butoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-butoxyphenyl)pyrrolidin-2-one is CCCCOc1ccc(C2CNC(=O)C2)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)pyrrolidin-2-one?
The InChIKey is CAECIASHQVBHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-8-17-13-6-4-11(5-7-13)12-9-14(16)15-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of 4-(4-butoxyphenyl)pyrrolidin-2-one?
4-(4-butoxyphenyl)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 14537165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).