2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile

C12H20N2O — CID 43592777

IUPAC2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile
SMILESCC1(C)CN(C2CCCC2C#N)CCO1
InChIInChI=1S/C12H20N2O/c1-12(2)9-14(6-7-15-12)11-5-3-4-10(11)8-13/h10-11H,3-7,9H2,1-2H3
InChIKeyQEBQDNIALBTFJY-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.79
Rot. Bonds1

About 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile

2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile (PubChem CID 43592777) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile
PubChem CID43592777
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile
SMILESCC1(C)CN(C2CCCC2C#N)CCO1
InChIInChI=1S/C12H20N2O/c1-12(2)9-14(6-7-15-12)11-5-3-4-10(11)8-13/h10-11H,3-7,9H2,1-2H3
InChIKeyQEBQDNIALBTFJY-UHFFFAOYSA-N
XLogP1.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylmorpholin-4-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 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile (CID 43592777) is 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile is CC1(C)CN(C2CCCC2C#N)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile?
The InChIKey is QEBQDNIALBTFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2)9-14(6-7-15-12)11-5-3-4-10(11)8-13/h10-11H,3-7,9H2,1-2H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile?
2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 43592777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).