3-formyl-N-phenylbut-3-enamide

C11H11NO2 — CID 12974966

IUPAC3-formyl-N-phenylbut-3-enamide
SMILESC=C(C=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C11H11NO2/c1-9(8-13)7-11(14)12-10-5-3-2-4-6-10/h2-6,8H,1,7H2,(H,12,14)
InChIKeyHNLYELFJLSAURW-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.77
Rot. Bonds4

About 3-formyl-N-phenylbut-3-enamide

3-formyl-N-phenylbut-3-enamide (PubChem CID 12974966) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-formyl-N-phenylbut-3-enamide.

Molecular Properties

Compound Name3-formyl-N-phenylbut-3-enamide
PubChem CID12974966
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-formyl-N-phenylbut-3-enamide
SMILESC=C(C=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C11H11NO2/c1-9(8-13)7-11(14)12-10-5-3-2-4-6-10/h2-6,8H,1,7H2,(H,12,14)
InChIKeyHNLYELFJLSAURW-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-phenylbutanamide
CID 161275903
N'-hydroxy-N-phenylpropanediamide
CID 20721653
4-(4-anilinoanilino)-2-methylidene-4-oxobutanoic acid
CID 19795358
3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
(Z)-3-iodo-N-phenylpent-3-enamide
CID 71606946
(2-anilino-2-oxoethyl)sulfanium
CID 153278909
6-oxo-N-phenylhexanamide
CID 19422082
3-fluoro-N-phenylpropanamide
CID 70366284
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
2-cyclopropyl-N-phenylacetamide
CID 60753326

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-phenylbut-3-enamide?
The IUPAC name of 3-formyl-N-phenylbut-3-enamide (CID 12974966) is 3-formyl-N-phenylbut-3-enamide.
What is the SMILES notation for 3-formyl-N-phenylbut-3-enamide?
The canonical SMILES for 3-formyl-N-phenylbut-3-enamide is C=C(C=O)CC(=O)Nc1ccccc1.
What is the InChIKey of 3-formyl-N-phenylbut-3-enamide?
The InChIKey is HNLYELFJLSAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-9(8-13)7-11(14)12-10-5-3-2-4-6-10/h2-6,8H,1,7H2,(H,12,14).
What are the key properties of 3-formyl-N-phenylbut-3-enamide?
3-formyl-N-phenylbut-3-enamide has a molecular weight of 189.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-phenylbut-3-enamide is sourced from PubChem (CID 12974966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).