(3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile

C11H19NO — CID 143972024

IUPAC(3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile
SMILESCC1(C)C(C#N)CC[C@@]1(C)CCO
InChIInChI=1S/C11H19NO/c1-10(2)9(8-12)4-5-11(10,3)6-7-13/h9,13H,4-7H2,1-3H3/t9?,11-/m0/s1
InChIKeyGJBTWBLDDZVNAA-UMJHXOGRSA-N
MW181.28 g/mol
LogP2.33
Rot. Bonds2

About (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile

(3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile (PubChem CID 143972024) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name(3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile
PubChem CID143972024
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile
SMILESCC1(C)C(C#N)CC[C@@]1(C)CCO
InChIInChI=1S/C11H19NO/c1-10(2)9(8-12)4-5-11(10,3)6-7-13/h9,13H,4-7H2,1-3H3/t9?,11-/m0/s1
InChIKeyGJBTWBLDDZVNAA-UMJHXOGRSA-N
XLogP2.33
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile 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

cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide
CID 7054095
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
CID 95004190
6-(3-hydroxybutyl)-6-(hydroxymethyl)-3a-methyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carbonitrile
CID 123157217
1-(2-hydroxyethyl)cycloheptane-1-carbonitrile
CID 130514134
trans-(1R,2S)-2-[2-(2,2-dimethylcyclopropyl)ethyl]-2-methylcyclopropane-1-carbonitrile
CID 59015212
(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
CID 130972078
[2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 4633187
[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 7109758
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
CID 114756575
4-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile;methanol
CID 144778678
1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol
CID 56631028

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile?
The IUPAC name of (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile (CID 143972024) is (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile.
What is the SMILES notation for (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile?
The canonical SMILES for (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile is CC1(C)C(C#N)CC[C@@]1(C)CCO.
What is the InChIKey of (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile?
The InChIKey is GJBTWBLDDZVNAA-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)9(8-12)4-5-11(10,3)6-7-13/h9,13H,4-7H2,1-3H3/t9?,11-/m0/s1.
What are the key properties of (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile?
(3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 143972024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).