2-(2-bromoprop-2-enyl)cyclopentan-1-one

C8H11BrO — CID 102080148

IUPAC2-(2-bromoprop-2-enyl)cyclopentan-1-one
SMILESC=C(Br)CC1CCCC1=O
InChIInChI=1S/C8H11BrO/c1-6(9)5-7-3-2-4-8(7)10/h7H,1-5H2
InChIKeyMHNXDHSJEZWBOM-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.65
Rot. Bonds2

About 2-(2-bromoprop-2-enyl)cyclopentan-1-one

2-(2-bromoprop-2-enyl)cyclopentan-1-one (PubChem CID 102080148) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-bromoprop-2-enyl)cyclopentan-1-one
PubChem CID102080148
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name2-(2-bromoprop-2-enyl)cyclopentan-1-one
SMILESC=C(Br)CC1CCCC1=O
InChIInChI=1S/C8H11BrO/c1-6(9)5-7-3-2-4-8(7)10/h7H,1-5H2
InChIKeyMHNXDHSJEZWBOM-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylidenebutyl)cyclopentan-1-one
CID 66046925
2-(2-methylprop-2-enyl)cyclotridecan-1-one
CID 164771739
2-[(2-oxocyclohexyl)methyl]prop-2-enenitrile
CID 67948891
2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one
CID 166722235
(1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride
CID 12007726
ethane;2-(hydroxymethyl)cyclopentan-1-one
CID 144825908
2-(2-oxocyclohexyl)acetate
CID 21196476
CID 101002342
CID 101002342
ethyl 2-[(1S)-2-oxocyclopentyl]acetate
CID 1268264
copper bis(2-(2-oxocyclohexyl)acetate)
CID 90449787
(2S)-2-(2-fluoroethyl)cyclopentan-1-one
CID 97052906
2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
CID 71182369

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enyl)cyclopentan-1-one?
The IUPAC name of 2-(2-bromoprop-2-enyl)cyclopentan-1-one (CID 102080148) is 2-(2-bromoprop-2-enyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-bromoprop-2-enyl)cyclopentan-1-one?
The canonical SMILES for 2-(2-bromoprop-2-enyl)cyclopentan-1-one is C=C(Br)CC1CCCC1=O.
What is the InChIKey of 2-(2-bromoprop-2-enyl)cyclopentan-1-one?
The InChIKey is MHNXDHSJEZWBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO/c1-6(9)5-7-3-2-4-8(7)10/h7H,1-5H2.
What are the key properties of 2-(2-bromoprop-2-enyl)cyclopentan-1-one?
2-(2-bromoprop-2-enyl)cyclopentan-1-one has a molecular weight of 203.08 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enyl)cyclopentan-1-one is sourced from PubChem (CID 102080148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).