2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

C16H28N2O — CID 62943371

IUPAC2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N2CCC(O)C2)C1
InChIInChI=1S/C16H28N2O/c1-4-16(2,3)13-6-5-12(10-17)15(9-13)18-8-7-14(19)11-18/h12-15,19H,4-9,11H2,1-3H3
InChIKeyJYASOCIDSWOLSY-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.80
Rot. Bonds3

About 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (PubChem CID 62943371) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
PubChem CID62943371
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N2CCC(O)C2)C1
InChIInChI=1S/C16H28N2O/c1-4-16(2,3)13-6-5-12(10-17)15(9-13)18-8-7-14(19)11-18/h12-15,19H,4-9,11H2,1-3H3
InChIKeyJYASOCIDSWOLSY-UHFFFAOYSA-N
XLogP2.80
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (CID 62943371) is 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is CCC(C)(C)C1CCC(C#N)C(N2CCC(O)C2)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The InChIKey is JYASOCIDSWOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-16(2,3)13-6-5-12(10-17)15(9-13)18-8-7-14(19)11-18/h12-15,19H,4-9,11H2,1-3H3.
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile has a molecular weight of 264.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62943371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).