N-[(E)-1-phenylbut-1-enyl]acetamide

C12H15NO — CID 11701166

IUPACN-[(E)-1-phenylbut-1-enyl]acetamide
SMILESCC/C=C(/NC(C)=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-7-12(13-10(2)14)11-8-5-4-6-9-11/h4-9H,3H2,1-2H3,(H,13,14)/b12-7+
InChIKeyFNTSKAYFYGJOMM-KPKJPENVSA-N
MW189.26 g/mol
LogP2.57
Rot. Bonds3

About N-[(E)-1-phenylbut-1-enyl]acetamide

N-[(E)-1-phenylbut-1-enyl]acetamide (PubChem CID 11701166) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(E)-1-phenylbut-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-phenylbut-1-enyl]acetamide
PubChem CID11701166
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[(E)-1-phenylbut-1-enyl]acetamide
SMILESCC/C=C(/NC(C)=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-7-12(13-10(2)14)11-8-5-4-6-9-11/h4-9H,3H2,1-2H3,(H,13,14)/b12-7+
InChIKeyFNTSKAYFYGJOMM-KPKJPENVSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylbut-1-enyl]acetamide?
The IUPAC name of N-[(E)-1-phenylbut-1-enyl]acetamide (CID 11701166) is N-[(E)-1-phenylbut-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-1-phenylbut-1-enyl]acetamide?
The canonical SMILES for N-[(E)-1-phenylbut-1-enyl]acetamide is CC/C=C(/NC(C)=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylbut-1-enyl]acetamide?
The InChIKey is FNTSKAYFYGJOMM-KPKJPENVSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-7-12(13-10(2)14)11-8-5-4-6-9-11/h4-9H,3H2,1-2H3,(H,13,14)/b12-7+.
What are the key properties of N-[(E)-1-phenylbut-1-enyl]acetamide?
N-[(E)-1-phenylbut-1-enyl]acetamide has a molecular weight of 189.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylbut-1-enyl]acetamide is sourced from PubChem (CID 11701166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).