2-cyano-N-methyl-N-propylacetamide

C7H12N2O — CID 43271399

IUPAC2-cyano-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC#N
InChIInChI=1S/C7H12N2O/c1-3-6-9(2)7(10)4-5-8/h3-4,6H2,1-2H3
InChIKeyJDKZEFSKDQFOTH-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.77
Rot. Bonds3

About 2-cyano-N-methyl-N-propylacetamide

2-cyano-N-methyl-N-propylacetamide (PubChem CID 43271399) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-propylacetamide
PubChem CID43271399
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-cyano-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC#N
InChIInChI=1S/C7H12N2O/c1-3-6-9(2)7(10)4-5-8/h3-4,6H2,1-2H3
InChIKeyJDKZEFSKDQFOTH-UHFFFAOYSA-N
XLogP0.77
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethylpropionamide
CID 66191
1-(Cyanoacetyl)pyrrolidine
CID 84272
2-cyano-N,N-diethylacetamide
CID 3854515
2-Cyano-N,N-dimethylacetamide
CID 251143
N-(cyanomethyl)-N-methylacetamide
CID 539036
Propanoic acid, 1-(2-cyanoethyl)-2,2-dimethylhydrazide
CID 3024663
N-(2-cyanoethyl)-N-methylacetamide
CID 1988455
N-Ethyl-N-methylpropionamide
CID 18387020
N-(2-cyanoethyl)-N-(propan-2-yl)acetamide
CID 61586143
alpha-Cyanopropanoic acid dimethylamide
CID 19818782
N-Butyl-N-cyanoacetamide
CID 20261953
N,N-bis(2-cyanoethyl)acetamide
CID 305401

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-propylacetamide?
The IUPAC name of 2-cyano-N-methyl-N-propylacetamide (CID 43271399) is 2-cyano-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-cyano-N-methyl-N-propylacetamide?
The canonical SMILES for 2-cyano-N-methyl-N-propylacetamide is CCCN(C)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-methyl-N-propylacetamide?
The InChIKey is JDKZEFSKDQFOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6-9(2)7(10)4-5-8/h3-4,6H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-propylacetamide?
2-cyano-N-methyl-N-propylacetamide has a molecular weight of 140.19 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-propylacetamide is sourced from PubChem (CID 43271399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).