3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile

C11H18N2O — CID 62036591

IUPAC3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)C1CCCC1=O
InChIInChI=1S/C11H18N2O/c1-9(2)13(8-4-7-12)10-5-3-6-11(10)14/h9-10H,3-6,8H2,1-2H3
InChIKeyVYHWXGMIVDZZNU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.73
Rot. Bonds4

About 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile

3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile (PubChem CID 62036591) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile
PubChem CID62036591
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)C1CCCC1=O
InChIInChI=1S/C11H18N2O/c1-9(2)13(8-4-7-12)10-5-3-6-11(10)14/h9-10H,3-6,8H2,1-2H3
InChIKeyVYHWXGMIVDZZNU-UHFFFAOYSA-N
XLogP1.73
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile 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-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile (CID 62036591) is 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)C1CCCC1=O.
What is the InChIKey of 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile?
The InChIKey is VYHWXGMIVDZZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)13(8-4-7-12)10-5-3-6-11(10)14/h9-10H,3-6,8H2,1-2H3.
What are the key properties of 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile?
3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile has a molecular weight of 194.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 62036591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).