3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile

C11H19NO — CID 79129597

IUPAC3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(C)(C)O)C1
InChIInChI=1S/C11H19NO/c1-4-9-5-6-11(7-9,8-12)10(2,3)13/h9,13H,4-7H2,1-3H3
InChIKeyFUKRRTWJIMLWFQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.48
Rot. Bonds2

About 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile

3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile (PubChem CID 79129597) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile
PubChem CID79129597
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(C)(C)O)C1
InChIInChI=1S/C11H19NO/c1-4-9-5-6-11(7-9,8-12)10(2,3)13/h9,13H,4-7H2,1-3H3
InChIKeyFUKRRTWJIMLWFQ-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-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 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile (CID 79129597) is 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile is CCC1CCC(C#N)(C(C)(C)O)C1.
What is the InChIKey of 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is FUKRRTWJIMLWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-9-5-6-11(7-9,8-12)10(2,3)13/h9,13H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile?
3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxypropan-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79129597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).