ethyl 5-bromocyclopentene-1-carboxylate

C8H11BrO2 — CID 134849409

IUPACethyl 5-bromocyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1Br
InChIInChI=1S/C8H11BrO2/c1-2-11-8(10)6-4-3-5-7(6)9/h4,7H,2-3,5H2,1H3
InChIKeyAXAYAXAMBMDHRL-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.03
Rot. Bonds2

About ethyl 5-bromocyclopentene-1-carboxylate

ethyl 5-bromocyclopentene-1-carboxylate (PubChem CID 134849409) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is ethyl 5-bromocyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromocyclopentene-1-carboxylate
PubChem CID134849409
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Nameethyl 5-bromocyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1Br
InChIInChI=1S/C8H11BrO2/c1-2-11-8(10)6-4-3-5-7(6)9/h4,7H,2-3,5H2,1H3
InChIKeyAXAYAXAMBMDHRL-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.03
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

3-(1-Bromobutyl)-5-(dibromomethylidene)furan-2-one
CID 9865120
3-butyl-2(5H)-furanone
CID 11768654
(5Z)-5-(bromomethylidene)-3-butylfuran-2-one
CID 24831300
(2R)-4-butyl-2-methyl-2H-furan-5-one
CID 13548531
Ethyl cyclopent-1-enecarboxylate
CID 275610
2,5-Furandione, 3-butyl-
CID 11030038
4-Bromo-3-butyl-5-methyl-2(5h)-furanone
CID 11776138
3-butyl-5-methyl-2(5H)-furanone
CID 13548530
(2S)-4-butyl-2-methyl-2H-furan-5-one
CID 11105576
diethyl (E)-2-butylbut-2-enedioate
CID 12644238
Diethyl 2-1-butylmaleate
CID 12644239
Prop-2-en-1-yl cyclopent-1-ene-1-carboxylate
CID 45090128

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromocyclopentene-1-carboxylate?
The IUPAC name of ethyl 5-bromocyclopentene-1-carboxylate (CID 134849409) is ethyl 5-bromocyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 5-bromocyclopentene-1-carboxylate?
The canonical SMILES for ethyl 5-bromocyclopentene-1-carboxylate is CCOC(=O)C1=CCCC1Br.
What is the InChIKey of ethyl 5-bromocyclopentene-1-carboxylate?
The InChIKey is AXAYAXAMBMDHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2/c1-2-11-8(10)6-4-3-5-7(6)9/h4,7H,2-3,5H2,1H3.
What are the key properties of ethyl 5-bromocyclopentene-1-carboxylate?
ethyl 5-bromocyclopentene-1-carboxylate has a molecular weight of 219.08 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromocyclopentene-1-carboxylate is sourced from PubChem (CID 134849409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).