4-benzyl-3-methylcyclopent-2-en-1-one

C13H14O — CID 130058504

IUPAC4-benzyl-3-methylcyclopent-2-en-1-one
SMILESCC1=CC(=O)CC1Cc1ccccc1
InChIInChI=1S/C13H14O/c1-10-7-13(14)9-12(10)8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3
InChIKeySEXAWYUKMPZIBX-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.76
Rot. Bonds2

About 4-benzyl-3-methylcyclopent-2-en-1-one

4-benzyl-3-methylcyclopent-2-en-1-one (PubChem CID 130058504) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-benzyl-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-benzyl-3-methylcyclopent-2-en-1-one
PubChem CID130058504
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name4-benzyl-3-methylcyclopent-2-en-1-one
SMILESCC1=CC(=O)CC1Cc1ccccc1
InChIInChI=1S/C13H14O/c1-10-7-13(14)9-12(10)8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3
InChIKeySEXAWYUKMPZIBX-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864
5-benzyl-3-ethoxy-2-methylcyclopent-2-en-1-one
CID 11481629
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
(3S)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969675
(3R)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969674
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one
CID 123750071
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
CID 141214813
3-benzyl-5-methylthiolan-2-one
CID 13249649
(3S,5S)-3-benzyl-5-methylthiolan-2-one
CID 71408438
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methylcyclopent-2-en-1-one?
The IUPAC name of 4-benzyl-3-methylcyclopent-2-en-1-one (CID 130058504) is 4-benzyl-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 4-benzyl-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 4-benzyl-3-methylcyclopent-2-en-1-one is CC1=CC(=O)CC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-methylcyclopent-2-en-1-one?
The InChIKey is SEXAWYUKMPZIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-10-7-13(14)9-12(10)8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3.
What are the key properties of 4-benzyl-3-methylcyclopent-2-en-1-one?
4-benzyl-3-methylcyclopent-2-en-1-one has a molecular weight of 186.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 130058504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).