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

C12H11BrO — CID 65174104

IUPAC3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one
SMILESO=C1C=C(Cc2ccccc2Br)CC1
InChIInChI=1S/C12H11BrO/c13-12-4-2-1-3-10(12)7-9-5-6-11(14)8-9/h1-4,8H,5-7H2
InChIKeyFTCBEPDJGYBNHY-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.28
Rot. Bonds2

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

3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one (PubChem CID 65174104) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one
PubChem CID65174104
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one
SMILESO=C1C=C(Cc2ccccc2Br)CC1
InChIInChI=1S/C12H11BrO/c13-12-4-2-1-3-10(12)7-9-5-6-11(14)8-9/h1-4,8H,5-7H2
InChIKeyFTCBEPDJGYBNHY-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-bromophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-one
CID 65176853
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CID 68856766
2-[(2-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 54919338
3-[(4-tert-butylphenyl)methyl]cyclopent-2-en-1-one
CID 65174806
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
2-(2-bromophenyl)acetyl bromide
CID 87290551
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
2-[(2-bromophenyl)methyl]benzene-1,3-diol
CID 135030725
2-(2-bromophenyl)acetaldehyde;1,1-dimethoxyethane
CID 87393871
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one (CID 65174104) is 3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one is O=C1C=C(Cc2ccccc2Br)CC1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one?
The InChIKey is FTCBEPDJGYBNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c13-12-4-2-1-3-10(12)7-9-5-6-11(14)8-9/h1-4,8H,5-7H2.
What are the key properties of 3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one?
3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one has a molecular weight of 251.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]cyclopent-2-en-1-one is sourced from PubChem (CID 65174104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).