2-cyano-N,N-diethylacetamide

C7H12N2O — CID 3854515

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

About 2-cyano-N,N-diethylacetamide

2-cyano-N,N-diethylacetamide (PubChem CID 3854515) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-cyano-N,N-diethylacetamide.

Molecular Properties

Compound Name2-cyano-N,N-diethylacetamide
PubChem CID3854515
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-cyano-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC#N
InChIInChI=1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3
InChIKeyRYSHIRFTLKZVIH-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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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-diethylacetamide?
The IUPAC name of 2-cyano-N,N-diethylacetamide (CID 3854515) is 2-cyano-N,N-diethylacetamide.
What is the SMILES notation for 2-cyano-N,N-diethylacetamide?
The canonical SMILES for 2-cyano-N,N-diethylacetamide is CCN(CC)C(=O)CC#N.
What is the InChIKey of 2-cyano-N,N-diethylacetamide?
The InChIKey is RYSHIRFTLKZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3.
What are the key properties of 2-cyano-N,N-diethylacetamide?
2-cyano-N,N-diethylacetamide 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,N-diethylacetamide is sourced from PubChem (CID 3854515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).