2-cyano-N,N-dimethylpropanamide

C6H10N2O — CID 19818782

IUPAC2-cyano-N,N-dimethylpropanamide
SMILESCC(C#N)C(=O)N(C)C
InChIInChI=1S/C6H10N2O/c1-5(4-7)6(9)8(2)3/h5H,1-3H3
InChIKeyIWYJMQWDUNLMMF-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.23
Rot. Bonds1

About 2-cyano-N,N-dimethylpropanamide

2-cyano-N,N-dimethylpropanamide (PubChem CID 19818782) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-cyano-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-cyano-N,N-dimethylpropanamide
PubChem CID19818782
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-cyano-N,N-dimethylpropanamide
SMILESCC(C#N)C(=O)N(C)C
InChIInChI=1S/C6H10N2O/c1-5(4-7)6(9)8(2)3/h5H,1-3H3
InChIKeyIWYJMQWDUNLMMF-UHFFFAOYSA-N
XLogP0.23
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-dimethylpropanamide?
The IUPAC name of 2-cyano-N,N-dimethylpropanamide (CID 19818782) is 2-cyano-N,N-dimethylpropanamide.
What is the SMILES notation for 2-cyano-N,N-dimethylpropanamide?
The canonical SMILES for 2-cyano-N,N-dimethylpropanamide is CC(C#N)C(=O)N(C)C.
What is the InChIKey of 2-cyano-N,N-dimethylpropanamide?
The InChIKey is IWYJMQWDUNLMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(4-7)6(9)8(2)3/h5H,1-3H3.
What are the key properties of 2-cyano-N,N-dimethylpropanamide?
2-cyano-N,N-dimethylpropanamide has a molecular weight of 126.16 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-dimethylpropanamide is sourced from PubChem (CID 19818782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).