(E)-N-prop-2-enylbut-2-enamide

C7H11NO — CID 5354840

IUPAC(E)-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C=C/C
InChIInChI=1S/C7H11NO/c1-3-5-7(9)8-6-4-2/h3-5H,2,6H2,1H3,(H,8,9)/b5-3+
InChIKeyRIVZZOYMBUEGBU-HWKANZROSA-N
MW125.17 g/mol
LogP0.86
Rot. Bonds3

About (E)-N-prop-2-enylbut-2-enamide

(E)-N-prop-2-enylbut-2-enamide (PubChem CID 5354840) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-prop-2-enylbut-2-enamide
PubChem CID5354840
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(E)-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C=C/C
InChIInChI=1S/C7H11NO/c1-3-5-7(9)8-6-4-2/h3-5H,2,6H2,1H3,(H,8,9)/b5-3+
InChIKeyRIVZZOYMBUEGBU-HWKANZROSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-prop-2-enylbut-2-enamide?
The IUPAC name of (E)-N-prop-2-enylbut-2-enamide (CID 5354840) is (E)-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for (E)-N-prop-2-enylbut-2-enamide?
The canonical SMILES for (E)-N-prop-2-enylbut-2-enamide is C=CCNC(=O)/C=C/C.
What is the InChIKey of (E)-N-prop-2-enylbut-2-enamide?
The InChIKey is RIVZZOYMBUEGBU-HWKANZROSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-7(9)8-6-4-2/h3-5H,2,6H2,1H3,(H,8,9)/b5-3+.
What are the key properties of (E)-N-prop-2-enylbut-2-enamide?
(E)-N-prop-2-enylbut-2-enamide has a molecular weight of 125.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 5354840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).