4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one

C14H26N2O2 — CID 117005880

IUPAC4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESCCCCCN1CCC(N2CC(CO)CC2=O)C1
InChIInChI=1S/C14H26N2O2/c1-2-3-4-6-15-7-5-13(10-15)16-9-12(11-17)8-14(16)18/h12-13,17H,2-11H2,1H3
InChIKeyBKJCEHQEUIWZRL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.09
Rot. Bonds6

About 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one (PubChem CID 117005880) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one
PubChem CID117005880
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESCCCCCN1CCC(N2CC(CO)CC2=O)C1
InChIInChI=1S/C14H26N2O2/c1-2-3-4-6-15-7-5-13(10-15)16-9-12(11-17)8-14(16)18/h12-13,17H,2-11H2,1H3
InChIKeyBKJCEHQEUIWZRL-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)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-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one (CID 117005880) is 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one is CCCCCN1CCC(N2CC(CO)CC2=O)C1.
What is the InChIKey of 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one?
The InChIKey is BKJCEHQEUIWZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-3-4-6-15-7-5-13(10-15)16-9-12(11-17)8-14(16)18/h12-13,17H,2-11H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 117005880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).