methyl 2-bromocyclopentane-1-carboxylate

C7H11BrO2 — CID 165357827

IUPACmethyl 2-bromocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1Br
InChIInChI=1S/C7H11BrO2/c1-10-7(9)5-3-2-4-6(5)8/h5-6H,2-4H2,1H3
InChIKeyGHJWTHAIZDMXIQ-UHFFFAOYSA-N
MW207.07 g/mol
LogP1.72
Rot. Bonds1

About methyl 2-bromocyclopentane-1-carboxylate

methyl 2-bromocyclopentane-1-carboxylate (PubChem CID 165357827) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is methyl 2-bromocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromocyclopentane-1-carboxylate
PubChem CID165357827
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Namemethyl 2-bromocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1Br
InChIInChI=1S/C7H11BrO2/c1-10-7(9)5-3-2-4-6(5)8/h5-6H,2-4H2,1H3
InChIKeyGHJWTHAIZDMXIQ-UHFFFAOYSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
1-(2-bromocyclopentyl)ethanone
CID 68839604
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
CID 70286212
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
cis-methyl (1R,2R)-2-cyanocyclopentane-1-carboxylate
CID 102427943
methyl 3-amino-2-methoxycyclohexane-1-carboxylate
CID 131114031

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromocyclopentane-1-carboxylate?
The IUPAC name of methyl 2-bromocyclopentane-1-carboxylate (CID 165357827) is methyl 2-bromocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-bromocyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-bromocyclopentane-1-carboxylate is COC(=O)C1CCCC1Br.
What is the InChIKey of methyl 2-bromocyclopentane-1-carboxylate?
The InChIKey is GHJWTHAIZDMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-10-7(9)5-3-2-4-6(5)8/h5-6H,2-4H2,1H3.
What are the key properties of methyl 2-bromocyclopentane-1-carboxylate?
methyl 2-bromocyclopentane-1-carboxylate has a molecular weight of 207.07 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromocyclopentane-1-carboxylate is sourced from PubChem (CID 165357827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).