1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile

C11H19N3O — CID 90716120

IUPAC1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile
SMILESCC(C)C(C(=O)N1CCC1C#N)N(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)10(13(3)4)11(15)14-6-5-9(14)7-12/h8-10H,5-6H2,1-4H3
InChIKeyKXCAJAJJSBOWBM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.70
Rot. Bonds3

About 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile

1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile (PubChem CID 90716120) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile
PubChem CID90716120
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile
SMILESCC(C)C(C(=O)N1CCC1C#N)N(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)10(13(3)4)11(15)14-6-5-9(14)7-12/h8-10H,5-6H2,1-4H3
InChIKeyKXCAJAJJSBOWBM-UHFFFAOYSA-N
XLogP0.70
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-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 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile?
The IUPAC name of 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile (CID 90716120) is 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile.
What is the SMILES notation for 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile?
The canonical SMILES for 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile is CC(C)C(C(=O)N1CCC1C#N)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile?
The InChIKey is KXCAJAJJSBOWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(13(3)4)11(15)14-6-5-9(14)7-12/h8-10H,5-6H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile?
1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile has a molecular weight of 209.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile is sourced from PubChem (CID 90716120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).