2-cyano-N-ethyl-N-methylacetamide

C6H10N2O — CID 21285935

IUPAC2-cyano-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CC#N
InChIInChI=1S/C6H10N2O/c1-3-8(2)6(9)4-5-7/h3-4H2,1-2H3
InChIKeyOOKDKRGEASFNIU-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.38
Rot. Bonds2

About 2-cyano-N-ethyl-N-methylacetamide

2-cyano-N-ethyl-N-methylacetamide (PubChem CID 21285935) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-methylacetamide
PubChem CID21285935
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-cyano-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CC#N
InChIInChI=1S/C6H10N2O/c1-3-8(2)6(9)4-5-7/h3-4H2,1-2H3
InChIKeyOOKDKRGEASFNIU-UHFFFAOYSA-N
XLogP0.38
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-methylacetamide?
The IUPAC name of 2-cyano-N-ethyl-N-methylacetamide (CID 21285935) is 2-cyano-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-cyano-N-ethyl-N-methylacetamide is CCN(C)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-ethyl-N-methylacetamide?
The InChIKey is OOKDKRGEASFNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-8(2)6(9)4-5-7/h3-4H2,1-2H3.
What are the key properties of 2-cyano-N-ethyl-N-methylacetamide?
2-cyano-N-ethyl-N-methylacetamide has a molecular weight of 126.16 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-methylacetamide is sourced from PubChem (CID 21285935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).