2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide

C8H9NO2 — CID 87084570

IUPAC2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)C(=C)C=C=O
InChIInChI=1S/C8H9NO2/c1-3-5-9-8(11)7(2)4-6-10/h3-4H,1-2,5H2,(H,9,11)
InChIKeyCLSMUXHVIFCYTG-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.23
Rot. Bonds4

About 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide

2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide (PubChem CID 87084570) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide.

Molecular Properties

Compound Name2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide
PubChem CID87084570
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)C(=C)C=C=O
InChIInChI=1S/C8H9NO2/c1-3-5-9-8(11)7(2)4-6-10/h3-4H,1-2,5H2,(H,9,11)
InChIKeyCLSMUXHVIFCYTG-UHFFFAOYSA-N
XLogP0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Allylmethacrylamide
CID 75139
N-(2-methylprop-2-enyl)prop-2-enamide
CID 15570308
N-allyl-3-butenamide
CID 11182609
Methacrylamidoethyl ethylene
CID 17774237
N-(pent-4-en-1-yl)prop-2-enamide
CID 53949632
2-(fluoromethyl)-N-prop-2-enylprop-2-enamide
CID 88104858
(2E)-6-methyl-N-(2-methylpropyl)octa-2,4,5-trienamide
CID 134976486
2-methylidene-N-propan-2-ylpent-4-enamide
CID 14418379
N-but-3-enylprop-2-enamide
CID 17774234
N-but-3-en-2-yl-2-methylprop-2-enamide
CID 17870578
2-methylidene-N-prop-2-enylbutanediamide
CID 18784432
N,2-dimethylprop-2-enamide;N-ethylprop-2-enamide
CID 18984068

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide?
The IUPAC name of 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide (CID 87084570) is 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide.
What is the SMILES notation for 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide?
The canonical SMILES for 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide is C=CCNC(=O)C(=C)C=C=O.
What is the InChIKey of 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide?
The InChIKey is CLSMUXHVIFCYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-5-9-8(11)7(2)4-6-10/h3-4H,1-2,5H2,(H,9,11).
What are the key properties of 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide?
2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide has a molecular weight of 151.16 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-oxo-N-prop-2-enylbut-3-enamide is sourced from PubChem (CID 87084570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).