cyclopenten-1-yl-(2,3-dimethylphenyl)methanone

C14H16O — CID 62080312

IUPACcyclopenten-1-yl-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)C2=CCCC2)c1C
InChIInChI=1S/C14H16O/c1-10-6-5-9-13(11(10)2)14(15)12-7-3-4-8-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyNYSXOICHAACDJJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.60
Rot. Bonds2

About cyclopenten-1-yl-(2,3-dimethylphenyl)methanone

cyclopenten-1-yl-(2,3-dimethylphenyl)methanone (PubChem CID 62080312) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is cyclopenten-1-yl-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(2,3-dimethylphenyl)methanone
PubChem CID62080312
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Namecyclopenten-1-yl-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)C2=CCCC2)c1C
InChIInChI=1S/C14H16O/c1-10-6-5-9-13(11(10)2)14(15)12-7-3-4-8-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyNYSXOICHAACDJJ-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 81481190
(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone
CID 107096169
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
cyclopenten-1-yl-(3-methylphenyl)methanone
CID 62080308
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
(2-amino-3-pyridinyl)-(cyclopenten-1-yl)methanone
CID 103448139
cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
CID 103449971
cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
CID 103449955
(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839866
cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 103449936

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2,3-dimethylphenyl)methanone?
The IUPAC name of cyclopenten-1-yl-(2,3-dimethylphenyl)methanone (CID 62080312) is cyclopenten-1-yl-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(2,3-dimethylphenyl)methanone?
The canonical SMILES for cyclopenten-1-yl-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)C2=CCCC2)c1C.
What is the InChIKey of cyclopenten-1-yl-(2,3-dimethylphenyl)methanone?
The InChIKey is NYSXOICHAACDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10-6-5-9-13(11(10)2)14(15)12-7-3-4-8-12/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of cyclopenten-1-yl-(2,3-dimethylphenyl)methanone?
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone has a molecular weight of 200.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 62080312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).