(3-bromocyclopent-2-en-1-yl)methylbenzene

C12H13Br — CID 15701429

IUPAC(3-bromocyclopent-2-en-1-yl)methylbenzene
SMILESBrC1=CC(Cc2ccccc2)CC1
InChIInChI=1S/C12H13Br/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
InChIKeyCTNWGGBIIIEXIK-UHFFFAOYSA-N
MW237.14 g/mol
LogP3.92
Rot. Bonds2

About (3-bromocyclopent-2-en-1-yl)methylbenzene

(3-bromocyclopent-2-en-1-yl)methylbenzene (PubChem CID 15701429) has the molecular formula C12H13Br and a molecular weight of 237.14 g/mol. Its IUPAC name is (3-bromocyclopent-2-en-1-yl)methylbenzene.

Molecular Properties

Compound Name(3-bromocyclopent-2-en-1-yl)methylbenzene
PubChem CID15701429
Molecular FormulaC12H13Br
Molecular Weight237.14 g/mol
Exact Mass236.02
IUPAC Name(3-bromocyclopent-2-en-1-yl)methylbenzene
SMILESBrC1=CC(Cc2ccccc2)CC1
InChIInChI=1S/C12H13Br/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
InChIKeyCTNWGGBIIIEXIK-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-benzylphosphinane
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(3-bromo-2-methylcyclopentyl)methylbenzene
CID 64907307
2,4,6-tribenzyl-1,3,5-trithiane
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cyclopropylmethylbenzene;ethane;methane
CID 142248267
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2-benzyl-1-bromo-2,3-dihydro-1H-indene
CID 63470495
cis-(2S,3S)-2-benzyl-3-ethylcyclohexan-1-one
CID 10443310
CID 162338619
CID 162338619
(2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole
CID 100922703
(1S,2R,5R)-2-benzylbicyclo[3.1.0]hexane
CID 158080473

Frequently Asked Questions

What is the IUPAC name of (3-bromocyclopent-2-en-1-yl)methylbenzene?
The IUPAC name of (3-bromocyclopent-2-en-1-yl)methylbenzene (CID 15701429) is (3-bromocyclopent-2-en-1-yl)methylbenzene.
What is the SMILES notation for (3-bromocyclopent-2-en-1-yl)methylbenzene?
The canonical SMILES for (3-bromocyclopent-2-en-1-yl)methylbenzene is BrC1=CC(Cc2ccccc2)CC1.
What is the InChIKey of (3-bromocyclopent-2-en-1-yl)methylbenzene?
The InChIKey is CTNWGGBIIIEXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2.
What are the key properties of (3-bromocyclopent-2-en-1-yl)methylbenzene?
(3-bromocyclopent-2-en-1-yl)methylbenzene has a molecular weight of 237.14 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromocyclopent-2-en-1-yl)methylbenzene is sourced from PubChem (CID 15701429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).