3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile

C10H18N2O — CID 62372958

IUPAC3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCC(CO)C1
InChIInChI=1S/C10H18N2O/c1-2-10(3-5-11)12-6-4-9(7-12)8-13/h9-10,13H,2-4,6-8H2,1H3
InChIKeyLYXFQDLTAQQOIJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.99
Rot. Bonds4

About 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile

3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile (PubChem CID 62372958) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
PubChem CID62372958
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCC(CO)C1
InChIInChI=1S/C10H18N2O/c1-2-10(3-5-11)12-6-4-9(7-12)8-13/h9-10,13H,2-4,6-8H2,1H3
InChIKeyLYXFQDLTAQQOIJ-UHFFFAOYSA-N
XLogP0.99
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile 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-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile (CID 62372958) is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile is CCC(CC#N)N1CCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile?
The InChIKey is LYXFQDLTAQQOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(3-5-11)12-6-4-9(7-12)8-13/h9-10,13H,2-4,6-8H2,1H3.
What are the key properties of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile?
3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 62372958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).