(E)-3-phenylprop-2-enamide

C9H9NO — CID 5273472

IUPAC(E)-3-phenylprop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
InChIKeyAPEJMQOBVMLION-VOTSOKGWSA-N
MW147.18 g/mol
LogP1.19
Rot. Bonds2

About (E)-3-phenylprop-2-enamide

(E)-3-phenylprop-2-enamide (PubChem CID 5273472) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (E)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenylprop-2-enamide
PubChem CID5273472
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(E)-3-phenylprop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
InChIKeyAPEJMQOBVMLION-VOTSOKGWSA-N
XLogP1.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylprop-2-enamide?
The IUPAC name of (E)-3-phenylprop-2-enamide (CID 5273472) is (E)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-3-phenylprop-2-enamide is NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenylprop-2-enamide?
The InChIKey is APEJMQOBVMLION-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+.
What are the key properties of (E)-3-phenylprop-2-enamide?
(E)-3-phenylprop-2-enamide has a molecular weight of 147.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylprop-2-enamide is sourced from PubChem (CID 5273472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).