(Z)-N-ethenylbut-2-enamide

C6H9NO — CID 121258309

IUPAC(Z)-N-ethenylbut-2-enamide
SMILESC=CNC(=O)/C=C\C
InChIInChI=1S/C6H9NO/c1-3-5-6(8)7-4-2/h3-5H,2H2,1H3,(H,7,8)/b5-3-
InChIKeyWIDILVBXOQAPTJ-HYXAFXHYSA-N
MW111.14 g/mol
LogP0.82
Rot. Bonds2

About (Z)-N-ethenylbut-2-enamide

(Z)-N-ethenylbut-2-enamide (PubChem CID 121258309) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (Z)-N-ethenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethenylbut-2-enamide
PubChem CID121258309
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(Z)-N-ethenylbut-2-enamide
SMILESC=CNC(=O)/C=C\C
InChIInChI=1S/C6H9NO/c1-3-5-6(8)7-4-2/h3-5H,2H2,1H3,(H,7,8)/b5-3-
InChIKeyWIDILVBXOQAPTJ-HYXAFXHYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(methyliminomethyl)but-2-enamide
CID 126653439
N,N'-bis[(E)-but-2-enoyl]oxamide
CID 22157614
ethenyl N-but-2-enoylcarbamate
CID 174187546
N-(trihydroxymethyl)but-2-enamide
CID 154354345
(E)-N-pent-4-enylbut-2-enamide
CID 122404178
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
(Z)-N-[(Z)-but-2-en-2-yl]but-2-enamide
CID 130459282
hepta-2,5-dien-4-one
CID 54179619
(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol
CID 171813190
(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide
CID 130311674
methyl N-[(E)-but-2-enoyl]carbamate
CID 16719385

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenylbut-2-enamide?
The IUPAC name of (Z)-N-ethenylbut-2-enamide (CID 121258309) is (Z)-N-ethenylbut-2-enamide.
What is the SMILES notation for (Z)-N-ethenylbut-2-enamide?
The canonical SMILES for (Z)-N-ethenylbut-2-enamide is C=CNC(=O)/C=C\C.
What is the InChIKey of (Z)-N-ethenylbut-2-enamide?
The InChIKey is WIDILVBXOQAPTJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-5-6(8)7-4-2/h3-5H,2H2,1H3,(H,7,8)/b5-3-.
What are the key properties of (Z)-N-ethenylbut-2-enamide?
(Z)-N-ethenylbut-2-enamide has a molecular weight of 111.14 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenylbut-2-enamide is sourced from PubChem (CID 121258309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).