3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile

C17H28N2O2 — CID 174620907

IUPAC3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile
SMILESCC(C)(C)CCN1CC(O)C(C#N)(C2CCCCC2)C1=O
InChIInChI=1S/C17H28N2O2/c1-16(2,3)9-10-19-11-14(20)17(12-18,15(19)21)13-7-5-4-6-8-13/h13-14,20H,4-11H2,1-3H3
InChIKeyLFDMLIPCDBMZLK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.72
Rot. Bonds3

About 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile

3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile (PubChem CID 174620907) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile
PubChem CID174620907
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile
SMILESCC(C)(C)CCN1CC(O)C(C#N)(C2CCCCC2)C1=O
InChIInChI=1S/C17H28N2O2/c1-16(2,3)9-10-19-11-14(20)17(12-18,15(19)21)13-7-5-4-6-8-13/h13-14,20H,4-11H2,1-3H3
InChIKeyLFDMLIPCDBMZLK-UHFFFAOYSA-N
XLogP2.72
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile (CID 174620907) is 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile is CC(C)(C)CCN1CC(O)C(C#N)(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile?
The InChIKey is LFDMLIPCDBMZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2,3)9-10-19-11-14(20)17(12-18,15(19)21)13-7-5-4-6-8-13/h13-14,20H,4-11H2,1-3H3.
What are the key properties of 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile?
3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 292.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 174620907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).