N-ethenylbut-3-enamide

C6H9NO — CID 57163177

IUPACN-ethenylbut-3-enamide
SMILESC=CCC(=O)NC=C
InChIInChI=1S/C6H9NO/c1-3-5-6(8)7-4-2/h3-4H,1-2,5H2,(H,7,8)
InChIKeyYXOKLUKLAFCWKS-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.82
Rot. Bonds3

About N-ethenylbut-3-enamide

N-ethenylbut-3-enamide (PubChem CID 57163177) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-ethenylbut-3-enamide.

Molecular Properties

Compound NameN-ethenylbut-3-enamide
PubChem CID57163177
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-ethenylbut-3-enamide
SMILESC=CCC(=O)NC=C
InChIInChI=1S/C6H9NO/c1-3-5-6(8)7-4-2/h3-4H,1-2,5H2,(H,7,8)
InChIKeyYXOKLUKLAFCWKS-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenylbut-3-enamide?
The IUPAC name of N-ethenylbut-3-enamide (CID 57163177) is N-ethenylbut-3-enamide.
What is the SMILES notation for N-ethenylbut-3-enamide?
The canonical SMILES for N-ethenylbut-3-enamide is C=CCC(=O)NC=C.
What is the InChIKey of N-ethenylbut-3-enamide?
The InChIKey is YXOKLUKLAFCWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-5-6(8)7-4-2/h3-4H,1-2,5H2,(H,7,8).
What are the key properties of N-ethenylbut-3-enamide?
N-ethenylbut-3-enamide has a molecular weight of 111.14 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylbut-3-enamide is sourced from PubChem (CID 57163177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).