4-(4-prop-1-en-2-ylphenyl)but-3-enamide

C13H15NO — CID 170797716

IUPAC4-(4-prop-1-en-2-ylphenyl)but-3-enamide
SMILESC=C(C)c1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C13H15NO/c1-10(2)12-8-6-11(7-9-12)4-3-5-13(14)15/h3-4,6-9H,1,5H2,2H3,(H2,14,15)
InChIKeyVQRPYVPZUBDDRN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.61
Rot. Bonds4

About 4-(4-prop-1-en-2-ylphenyl)but-3-enamide

4-(4-prop-1-en-2-ylphenyl)but-3-enamide (PubChem CID 170797716) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(4-prop-1-en-2-ylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(4-prop-1-en-2-ylphenyl)but-3-enamide
PubChem CID170797716
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-(4-prop-1-en-2-ylphenyl)but-3-enamide
SMILESC=C(C)c1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C13H15NO/c1-10(2)12-8-6-11(7-9-12)4-3-5-13(14)15/h3-4,6-9H,1,5H2,2H3,(H2,14,15)
InChIKeyVQRPYVPZUBDDRN-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
CID 170798274
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
4-[4-(2-cyanoacetyl)phenyl]but-3-enamide
CID 170798579
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
methyl 4-[4-(4-amino-4-oxobut-1-enyl)phenyl]-4-oxobutanoate
CID 170798880
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562
4-(3-acetylphenyl)but-3-enamide
CID 170797804
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
4-(9,9-dimethylfluoren-2-yl)but-3-enamide
CID 170798912
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]but-3-enamide
CID 170798915
4-(3-chloro-4-methoxyphenyl)but-3-enamide
CID 170797760

Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-1-en-2-ylphenyl)but-3-enamide?
The IUPAC name of 4-(4-prop-1-en-2-ylphenyl)but-3-enamide (CID 170797716) is 4-(4-prop-1-en-2-ylphenyl)but-3-enamide.
What is the SMILES notation for 4-(4-prop-1-en-2-ylphenyl)but-3-enamide?
The canonical SMILES for 4-(4-prop-1-en-2-ylphenyl)but-3-enamide is C=C(C)c1ccc(C=CCC(N)=O)cc1.
What is the InChIKey of 4-(4-prop-1-en-2-ylphenyl)but-3-enamide?
The InChIKey is VQRPYVPZUBDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(2)12-8-6-11(7-9-12)4-3-5-13(14)15/h3-4,6-9H,1,5H2,2H3,(H2,14,15).
What are the key properties of 4-(4-prop-1-en-2-ylphenyl)but-3-enamide?
4-(4-prop-1-en-2-ylphenyl)but-3-enamide has a molecular weight of 201.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-1-en-2-ylphenyl)but-3-enamide is sourced from PubChem (CID 170797716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).