(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one

C11H9N3O — CID 15568556

IUPAC(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/n1nccn1)c1ccccc1
InChIInChI=1S/C11H9N3O/c15-11(10-4-2-1-3-5-10)6-9-14-12-7-8-13-14/h1-9H/b9-6+
InChIKeyVBUDPBPLDSVXCU-RMKNXTFCSA-N
MW199.21 g/mol
LogP1.63
Rot. Bonds3

About (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one

(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one (PubChem CID 15568556) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one
PubChem CID15568556
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/n1nccn1)c1ccccc1
InChIInChI=1S/C11H9N3O/c15-11(10-4-2-1-3-5-10)6-9-14-12-7-8-13-14/h1-9H/b9-6+
InChIKeyVBUDPBPLDSVXCU-RMKNXTFCSA-N
XLogP1.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-pyrrol-1-ylprop-2-en-1-one
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(2E)-1-phenylpenta-2,4-dien-1-one
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(E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one
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λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
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(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
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(Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one
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(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one
CID 54601920
ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-4-oxo-N,4-diphenylbut-2-enamide
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CID 68920367
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one (CID 15568556) is (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one is O=C(/C=C/n1nccn1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one?
The InChIKey is VBUDPBPLDSVXCU-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11(10-4-2-1-3-5-10)6-9-14-12-7-8-13-14/h1-9H/b9-6+.
What are the key properties of (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one?
(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one has a molecular weight of 199.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 15568556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).