(E)-N-phenylbut-2-enamide

C10H11NO — CID 5368760

IUPAC(E)-N-phenylbut-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h2-8H,1H3,(H,11,12)/b6-2+
InChIKeyBZSYYMAHNJHZCB-QHHAFSJGSA-N
MW161.20 g/mol
LogP2.20
Rot. Bonds2

About (E)-N-phenylbut-2-enamide

(E)-N-phenylbut-2-enamide (PubChem CID 5368760) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (E)-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-phenylbut-2-enamide
PubChem CID5368760
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(E)-N-phenylbut-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h2-8H,1H3,(H,11,12)/b6-2+
InChIKeyBZSYYMAHNJHZCB-QHHAFSJGSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.20
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)-N-phenylbut-2-enamide?
The IUPAC name of (E)-N-phenylbut-2-enamide (CID 5368760) is (E)-N-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-phenylbut-2-enamide?
The canonical SMILES for (E)-N-phenylbut-2-enamide is C/C=C/C(=O)Nc1ccccc1.
What is the InChIKey of (E)-N-phenylbut-2-enamide?
The InChIKey is BZSYYMAHNJHZCB-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h2-8H,1H3,(H,11,12)/b6-2+.
What are the key properties of (E)-N-phenylbut-2-enamide?
(E)-N-phenylbut-2-enamide has a molecular weight of 161.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylbut-2-enamide is sourced from PubChem (CID 5368760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).