N-prop-2-enoylbuta-2,3-dienamide

C7H7NO2 — CID 87127669

IUPACN-prop-2-enoylbuta-2,3-dienamide
SMILESC=C=CC(=O)NC(=O)C=C
InChIInChI=1S/C7H7NO2/c1-3-5-7(10)8-6(9)4-2/h4-5H,1-2H2,(H,8,9,10)
InChIKeyXXQBGBUZLWZPKT-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.16
Rot. Bonds2

About N-prop-2-enoylbuta-2,3-dienamide

N-prop-2-enoylbuta-2,3-dienamide (PubChem CID 87127669) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is N-prop-2-enoylbuta-2,3-dienamide.

Molecular Properties

Compound NameN-prop-2-enoylbuta-2,3-dienamide
PubChem CID87127669
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC NameN-prop-2-enoylbuta-2,3-dienamide
SMILESC=C=CC(=O)NC(=O)C=C
InChIInChI=1S/C7H7NO2/c1-3-5-7(10)8-6(9)4-2/h4-5H,1-2H2,(H,8,9,10)
InChIKeyXXQBGBUZLWZPKT-UHFFFAOYSA-N
XLogP0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enoylnona-2,3-dienamide
CID 176543115
N-methylsulfanylbuta-2,3-dienamide
CID 176523508
buta-2,3-dienoic acid;ethene;prop-2-enoic acid
CID 88755428
N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide
CID 162528154
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
N-cyclobutylbuta-2,3-dienamide
CID 90867738
N-hydroxyprop-2-enamide;hydrochloride
CID 87262131
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide
CID 160985965
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoylbuta-2,3-dienamide?
The IUPAC name of N-prop-2-enoylbuta-2,3-dienamide (CID 87127669) is N-prop-2-enoylbuta-2,3-dienamide.
What is the SMILES notation for N-prop-2-enoylbuta-2,3-dienamide?
The canonical SMILES for N-prop-2-enoylbuta-2,3-dienamide is C=C=CC(=O)NC(=O)C=C.
What is the InChIKey of N-prop-2-enoylbuta-2,3-dienamide?
The InChIKey is XXQBGBUZLWZPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-3-5-7(10)8-6(9)4-2/h4-5H,1-2H2,(H,8,9,10).
What are the key properties of N-prop-2-enoylbuta-2,3-dienamide?
N-prop-2-enoylbuta-2,3-dienamide has a molecular weight of 137.14 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoylbuta-2,3-dienamide is sourced from PubChem (CID 87127669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).