3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one

C14H14O — CID 12856960

IUPAC3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one
SMILESCC1=C(/C=C/c2ccccc2)C(=O)CC1
InChIInChI=1S/C14H14O/c1-11-7-10-14(15)13(11)9-8-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3/b9-8+
InChIKeyOJCFUKKKFJEHEJ-CMDGGOBGSA-N
MW198.26 g/mol
LogP3.38
Rot. Bonds2

About 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one

3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one (PubChem CID 12856960) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one
PubChem CID12856960
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one
SMILESCC1=C(/C=C/c2ccccc2)C(=O)CC1
InChIInChI=1S/C14H14O/c1-11-7-10-14(15)13(11)9-8-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3/b9-8+
InChIKeyOJCFUKKKFJEHEJ-CMDGGOBGSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one (CID 12856960) is 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one is CC1=C(/C=C/c2ccccc2)C(=O)CC1.
What is the InChIKey of 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one?
The InChIKey is OJCFUKKKFJEHEJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H14O/c1-11-7-10-14(15)13(11)9-8-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3/b9-8+.
What are the key properties of 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one?
3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one has a molecular weight of 198.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 12856960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).