2-cyano-N-ethylpropanamide

C6H10N2O — CID 23199183

IUPAC2-cyano-N-ethylpropanamide
SMILESCCNC(=O)C(C)C#N
InChIInChI=1S/C6H10N2O/c1-3-8-6(9)5(2)4-7/h5H,3H2,1-2H3,(H,8,9)
InChIKeyFSVNGRBSXLNAPH-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.28
Rot. Bonds2

About 2-cyano-N-ethylpropanamide

2-cyano-N-ethylpropanamide (PubChem CID 23199183) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-cyano-N-ethylpropanamide.

Molecular Properties

Compound Name2-cyano-N-ethylpropanamide
PubChem CID23199183
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-cyano-N-ethylpropanamide
SMILESCCNC(=O)C(C)C#N
InChIInChI=1S/C6H10N2O/c1-3-8-6(9)5(2)4-7/h5H,3H2,1-2H3,(H,8,9)
InChIKeyFSVNGRBSXLNAPH-UHFFFAOYSA-N
XLogP0.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(2,2-difluoropropyl)propanamide
CID 143242049
2-(2-cyanopropanoylamino)ethyl carbamate
CID 83210393
2-cyano-N-(2-methylsulfinylpropyl)propanamide
CID 115764505
2-cyano-N-[(1S)-1-cyanopropyl]propanamide
CID 131154745
2-cyano-N-[(1-methylcyclopentyl)methyl]propanamide
CID 63829788
2-cyano-N-(5,5,5-trifluoropentyl)propanamide
CID 115491644
2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
CID 131181775
2-cyano-N-(2-cyanobutan-2-yl)propanamide
CID 131175736
ethane;N-ethyl-2-methylbutanamide
CID 145471862
2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 79401165
2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82737778
2-cyano-N-(1-hydroxypentan-3-yl)propanamide
CID 115767204

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethylpropanamide?
The IUPAC name of 2-cyano-N-ethylpropanamide (CID 23199183) is 2-cyano-N-ethylpropanamide.
What is the SMILES notation for 2-cyano-N-ethylpropanamide?
The canonical SMILES for 2-cyano-N-ethylpropanamide is CCNC(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-ethylpropanamide?
The InChIKey is FSVNGRBSXLNAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-8-6(9)5(2)4-7/h5H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-cyano-N-ethylpropanamide?
2-cyano-N-ethylpropanamide has a molecular weight of 126.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethylpropanamide is sourced from PubChem (CID 23199183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).