N-(4-formylphenyl)buta-2,3-dienamide

C11H9NO2 — CID 134556327

IUPACN-(4-formylphenyl)buta-2,3-dienamide
SMILESC=C=CC(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C11H9NO2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10/h3-8H,1H2,(H,12,14)
InChIKeyZYRGYUZMEDYPFX-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.78
Rot. Bonds3

About N-(4-formylphenyl)buta-2,3-dienamide

N-(4-formylphenyl)buta-2,3-dienamide (PubChem CID 134556327) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is N-(4-formylphenyl)buta-2,3-dienamide.

Molecular Properties

Compound NameN-(4-formylphenyl)buta-2,3-dienamide
PubChem CID134556327
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC NameN-(4-formylphenyl)buta-2,3-dienamide
SMILESC=C=CC(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C11H9NO2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10/h3-8H,1H2,(H,12,14)
InChIKeyZYRGYUZMEDYPFX-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.78
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

N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide
CID 134556324
N-(4-formylphenyl)but-3-enamide
CID 142510252
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
N-(4-formylphenyl)butanamide
CID 14471017
benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine
CID 87691755
3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide
CID 22601370
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
N-(4-formylphenyl)-2-methoxy-2-methylpropanamide
CID 106912194
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
(4-ethenylphenyl)carbamic acid
CID 22352089
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)buta-2,3-dienamide?
The IUPAC name of N-(4-formylphenyl)buta-2,3-dienamide (CID 134556327) is N-(4-formylphenyl)buta-2,3-dienamide.
What is the SMILES notation for N-(4-formylphenyl)buta-2,3-dienamide?
The canonical SMILES for N-(4-formylphenyl)buta-2,3-dienamide is C=C=CC(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of N-(4-formylphenyl)buta-2,3-dienamide?
The InChIKey is ZYRGYUZMEDYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10/h3-8H,1H2,(H,12,14).
What are the key properties of N-(4-formylphenyl)buta-2,3-dienamide?
N-(4-formylphenyl)buta-2,3-dienamide has a molecular weight of 187.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)buta-2,3-dienamide is sourced from PubChem (CID 134556327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).