(E)-3-phenyl-N-prop-2-enylprop-2-enamide

C12H13NO — CID 5371820

IUPAC(E)-3-phenyl-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H13NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2,(H,13,14)/b9-8+
InChIKeyKWZIWIMLISNPLJ-CMDGGOBGSA-N
MW187.24 g/mol
LogP2.00
Rot. Bonds4

About (E)-3-phenyl-N-prop-2-enylprop-2-enamide

(E)-3-phenyl-N-prop-2-enylprop-2-enamide (PubChem CID 5371820) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (E)-3-phenyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-prop-2-enylprop-2-enamide
PubChem CID5371820
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(E)-3-phenyl-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H13NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2,(H,13,14)/b9-8+
InChIKeyKWZIWIMLISNPLJ-CMDGGOBGSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-prop-2-enylprop-2-enamide (CID 5371820) is (E)-3-phenyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-prop-2-enylprop-2-enamide?
The InChIKey is KWZIWIMLISNPLJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2,(H,13,14)/b9-8+.
What are the key properties of (E)-3-phenyl-N-prop-2-enylprop-2-enamide?
(E)-3-phenyl-N-prop-2-enylprop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 5371820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).