N-(4-formylphenyl)but-3-enamide

C11H11NO2 — CID 142510252

IUPACN-(4-formylphenyl)but-3-enamide
SMILESC=CCC(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C11H11NO2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10/h2,4-8H,1,3H2,(H,12,14)
InChIKeyIRMITDPGVCFXLX-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.01
Rot. Bonds4

About N-(4-formylphenyl)but-3-enamide

N-(4-formylphenyl)but-3-enamide (PubChem CID 142510252) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(4-formylphenyl)but-3-enamide.

Molecular Properties

Compound NameN-(4-formylphenyl)but-3-enamide
PubChem CID142510252
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC NameN-(4-formylphenyl)but-3-enamide
SMILESC=CCC(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C11H11NO2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10/h2,4-8H,1,3H2,(H,12,14)
InChIKeyIRMITDPGVCFXLX-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)but-3-enamide
CID 60651848
N-(4-formylphenyl)butanamide
CID 14471017
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
4-(prop-2-enylamino)benzaldehyde
CID 13020046
2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258
N,N'-bis(4-ethenylphenyl)butanediamide
CID 12519604
5-(but-3-enoylamino)-2-hydroxybenzoic acid
CID 62685346
4-(but-3-enoylamino)-2-fluorobenzoic acid
CID 107792832
2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide
CID 106912167
N-(4-formylphenyl)buta-2,3-dienamide
CID 134556327
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)but-3-enamide?
The IUPAC name of N-(4-formylphenyl)but-3-enamide (CID 142510252) is N-(4-formylphenyl)but-3-enamide.
What is the SMILES notation for N-(4-formylphenyl)but-3-enamide?
The canonical SMILES for N-(4-formylphenyl)but-3-enamide is C=CCC(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of N-(4-formylphenyl)but-3-enamide?
The InChIKey is IRMITDPGVCFXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10/h2,4-8H,1,3H2,(H,12,14).
What are the key properties of N-(4-formylphenyl)but-3-enamide?
N-(4-formylphenyl)but-3-enamide has a molecular weight of 189.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)but-3-enamide is sourced from PubChem (CID 142510252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).