(2-methylcyclopent-3-en-1-yl)benzene

C12H14 — CID 85085291

IUPAC(2-methylcyclopent-3-en-1-yl)benzene
SMILESCC1C=CCC1c1ccccc1
InChIInChI=1S/C12H14/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h2-8,10,12H,9H2,1H3
InChIKeyFRIMZCPGEOIGEY-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.37
Rot. Bonds1

About (2-methylcyclopent-3-en-1-yl)benzene

(2-methylcyclopent-3-en-1-yl)benzene (PubChem CID 85085291) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2-methylcyclopent-3-en-1-yl)benzene.

Molecular Properties

Compound Name(2-methylcyclopent-3-en-1-yl)benzene
PubChem CID85085291
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name(2-methylcyclopent-3-en-1-yl)benzene
SMILESCC1C=CCC1c1ccccc1
InChIInChI=1S/C12H14/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h2-8,10,12H,9H2,1H3
InChIKeyFRIMZCPGEOIGEY-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene
CID 122384341
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
(1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol
CID 139120470
(1S,5S,6S)-N,N-dimethyl-6-nitro-5-phenylcyclohex-2-en-1-amine
CID 92856471
(2-methylcyclopentyl)benzene
CID 12600454
methyl 4-methyl-5-phenylcyclohex-2-ene-1-carboxylate
CID 58517085
3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran
CID 146679888
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
CID 98233070
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopent-3-en-1-yl)benzene?
The IUPAC name of (2-methylcyclopent-3-en-1-yl)benzene (CID 85085291) is (2-methylcyclopent-3-en-1-yl)benzene.
What is the SMILES notation for (2-methylcyclopent-3-en-1-yl)benzene?
The canonical SMILES for (2-methylcyclopent-3-en-1-yl)benzene is CC1C=CCC1c1ccccc1.
What is the InChIKey of (2-methylcyclopent-3-en-1-yl)benzene?
The InChIKey is FRIMZCPGEOIGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h2-8,10,12H,9H2,1H3.
What are the key properties of (2-methylcyclopent-3-en-1-yl)benzene?
(2-methylcyclopent-3-en-1-yl)benzene has a molecular weight of 158.24 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopent-3-en-1-yl)benzene is sourced from PubChem (CID 85085291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).