3-hydroxy-1-pyrrolidin-1-yldecan-1-one

C14H27NO2 — CID 91717714

IUPAC3-hydroxy-1-pyrrolidin-1-yldecan-1-one
SMILESCCCCCCCC(O)CC(=O)N1CCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-9-13(16)12-14(17)15-10-7-8-11-15/h13,16H,2-12H2,1H3
InChIKeyCXFTZEWBMATGPK-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.72
Rot. Bonds8

About 3-hydroxy-1-pyrrolidin-1-yldecan-1-one

3-hydroxy-1-pyrrolidin-1-yldecan-1-one (PubChem CID 91717714) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-hydroxy-1-pyrrolidin-1-yldecan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-pyrrolidin-1-yldecan-1-one
PubChem CID91717714
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-hydroxy-1-pyrrolidin-1-yldecan-1-one
SMILESCCCCCCCC(O)CC(=O)N1CCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-9-13(16)12-14(17)15-10-7-8-11-15/h13,16H,2-12H2,1H3
InChIKeyCXFTZEWBMATGPK-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-1-pyrrolidin-1-yldecan-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 3-hydroxy-1-pyrrolidin-1-yldecan-1-one?
The IUPAC name of 3-hydroxy-1-pyrrolidin-1-yldecan-1-one (CID 91717714) is 3-hydroxy-1-pyrrolidin-1-yldecan-1-one.
What is the SMILES notation for 3-hydroxy-1-pyrrolidin-1-yldecan-1-one?
The canonical SMILES for 3-hydroxy-1-pyrrolidin-1-yldecan-1-one is CCCCCCCC(O)CC(=O)N1CCCC1.
What is the InChIKey of 3-hydroxy-1-pyrrolidin-1-yldecan-1-one?
The InChIKey is CXFTZEWBMATGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-9-13(16)12-14(17)15-10-7-8-11-15/h13,16H,2-12H2,1H3.
What are the key properties of 3-hydroxy-1-pyrrolidin-1-yldecan-1-one?
3-hydroxy-1-pyrrolidin-1-yldecan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-pyrrolidin-1-yldecan-1-one is sourced from PubChem (CID 91717714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).