N-(1-cyanoethyl)butanamide

C7H12N2O — CID 61120062

IUPACN-(1-cyanoethyl)butanamide
SMILESCCCC(=O)NC(C)C#N
InChIInChI=1S/C7H12N2O/c1-3-4-7(10)9-6(2)5-8/h6H,3-4H2,1-2H3,(H,9,10)
InChIKeyKGOOITZPOCRMRB-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.81
Rot. Bonds3

About N-(1-cyanoethyl)butanamide

N-(1-cyanoethyl)butanamide (PubChem CID 61120062) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(1-cyanoethyl)butanamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)butanamide
PubChem CID61120062
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(1-cyanoethyl)butanamide
SMILESCCCC(=O)NC(C)C#N
InChIInChI=1S/C7H12N2O/c1-3-4-7(10)9-6(2)5-8/h6H,3-4H2,1-2H3,(H,9,10)
InChIKeyKGOOITZPOCRMRB-UHFFFAOYSA-N
XLogP0.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanoethyl)-4-ethoxybutanamide
CID 78989500
N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
CID 131089479
ethane;N-propan-2-ylbutanamide
CID 169175258
N-(1-cyanoethyl)-2-methylsulfonylacetamide
CID 62399547
1-cyanoethylurea
CID 61124202
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide
CID 103020102
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
N-hexan-2-ylbutanamide
CID 64592038
N-(4-cyanohexa-3,5-dien-2-yl)butanamide
CID 123403650
N-[(1R,2S)-1-tert-butylsulfanyl-2-cyanobutyl]butanamide
CID 10515255
N-(1-cyano-2-methylpropyl)heptanamide
CID 115621038

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)butanamide?
The IUPAC name of N-(1-cyanoethyl)butanamide (CID 61120062) is N-(1-cyanoethyl)butanamide.
What is the SMILES notation for N-(1-cyanoethyl)butanamide?
The canonical SMILES for N-(1-cyanoethyl)butanamide is CCCC(=O)NC(C)C#N.
What is the InChIKey of N-(1-cyanoethyl)butanamide?
The InChIKey is KGOOITZPOCRMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-7(10)9-6(2)5-8/h6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-(1-cyanoethyl)butanamide?
N-(1-cyanoethyl)butanamide has a molecular weight of 140.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)butanamide is sourced from PubChem (CID 61120062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).