3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one

C14H14O — CID 10888885

IUPAC3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one
SMILESCC(C)=C1CC(c2ccccc2)=CC1=O
InChIInChI=1S/C14H14O/c1-10(2)13-8-12(9-14(13)15)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyXCZGLYMKNBALGN-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.38
Rot. Bonds1

About 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one

3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one (PubChem CID 10888885) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one
PubChem CID10888885
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one
SMILESCC(C)=C1CC(c2ccccc2)=CC1=O
InChIInChI=1S/C14H14O/c1-10(2)13-8-12(9-14(13)15)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyXCZGLYMKNBALGN-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.38
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 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one?
The IUPAC name of 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one (CID 10888885) is 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one.
What is the SMILES notation for 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one?
The canonical SMILES for 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one is CC(C)=C1CC(c2ccccc2)=CC1=O.
What is the InChIKey of 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one?
The InChIKey is XCZGLYMKNBALGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-10(2)13-8-12(9-14(13)15)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one?
3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one has a molecular weight of 198.26 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one is sourced from PubChem (CID 10888885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).