(6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one

C15H14O — CID 162656609

IUPAC(6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one
SMILESO=C1C=CCC/C1=C\C=C\c1ccccc1
InChIInChI=1S/C15H14O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-3,5-9,11-12H,4,10H2/b9-6+,14-11+
InChIKeyLXMAQMYZFUNUQU-MGXYLZGPSA-N
MW210.28 g/mol
LogP3.55
Rot. Bonds2

About (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one

(6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one (PubChem CID 162656609) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one
PubChem CID162656609
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name(6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one
SMILESO=C1C=CCC/C1=C\C=C\c1ccccc1
InChIInChI=1S/C15H14O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-3,5-9,11-12H,4,10H2/b9-6+,14-11+
InChIKeyLXMAQMYZFUNUQU-MGXYLZGPSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
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 (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one?
The IUPAC name of (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one (CID 162656609) is (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one.
What is the SMILES notation for (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one?
The canonical SMILES for (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one is O=C1C=CCC/C1=C\C=C\c1ccccc1.
What is the InChIKey of (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one?
The InChIKey is LXMAQMYZFUNUQU-MGXYLZGPSA-N. The full InChI is InChI=1S/C15H14O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-3,5-9,11-12H,4,10H2/b9-6+,14-11+.
What are the key properties of (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one?
(6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one has a molecular weight of 210.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(E)-3-phenylprop-2-enylidene]cyclohex-2-en-1-one is sourced from PubChem (CID 162656609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).