2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile

C10H18N2O — CID 79412426

IUPAC2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile
SMILESCCCC(C#N)C1(O)CCN(C)C1
InChIInChI=1S/C10H18N2O/c1-3-4-9(7-11)10(13)5-6-12(2)8-10/h9,13H,3-6,8H2,1-2H3
InChIKeyWEELDQOKFRHIAH-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.99
Rot. Bonds3

About 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile

2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile (PubChem CID 79412426) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile.

Molecular Properties

Compound Name2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile
PubChem CID79412426
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile
SMILESCCCC(C#N)C1(O)CCN(C)C1
InChIInChI=1S/C10H18N2O/c1-3-4-9(7-11)10(13)5-6-12(2)8-10/h9,13H,3-6,8H2,1-2H3
InChIKeyWEELDQOKFRHIAH-UHFFFAOYSA-N
XLogP0.99
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2-(3-hydroxy-1-methylpyrrolidin-3-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

Related Compounds

2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile
CID 79415753
2-(4-hydroxy-2-methyloxan-4-yl)pentanenitrile
CID 79413009
2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile
CID 79412311
2-(4-hydroxy-2-propan-2-yloxan-4-yl)pentanenitrile
CID 79413123
2-(1-hydroxycycloheptyl)butanenitrile
CID 79129702
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile
CID 114502219
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)pentanenitrile
CID 115511263
2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile
CID 106664445
2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile
CID 65211110
2-(1-hydroxy-2-methoxycyclohexyl)pentanenitrile
CID 106874794
3-butyl-1-methylpyrrolidin-3-ol
CID 65146565

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile?
The IUPAC name of 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile (CID 79412426) is 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile.
What is the SMILES notation for 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile?
The canonical SMILES for 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile is CCCC(C#N)C1(O)CCN(C)C1.
What is the InChIKey of 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile?
The InChIKey is WEELDQOKFRHIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-9(7-11)10(13)5-6-12(2)8-10/h9,13H,3-6,8H2,1-2H3.
What are the key properties of 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile?
2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile is sourced from PubChem (CID 79412426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).