ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate

C15H17BrO2 — CID 59464091

IUPACethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\CC[C@@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C15H17BrO2/c1-2-18-15(17)10-11-3-4-13(9-11)12-5-7-14(16)8-6-12/h5-8,10,13H,2-4,9H2,1H3/b11-10+/t13-/m1/s1
InChIKeyXUUNLKWTKJNWQO-OCHBPSSRSA-N
MW309.20 g/mol
LogP4.21
Rot. Bonds3

About ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate

ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate (PubChem CID 59464091) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate
PubChem CID59464091
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Nameethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\CC[C@@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C15H17BrO2/c1-2-18-15(17)10-11-3-4-13(9-11)12-5-7-14(16)8-6-12/h5-8,10,13H,2-4,9H2,1H3/b11-10+/t13-/m1/s1
InChIKeyXUUNLKWTKJNWQO-OCHBPSSRSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[3-(4-bromophenyl)cyclopentylidene]acetic acid
CID 82307300
ethyl 2-[(3S)-3-[4-(benzhydrylideneamino)phenyl]cyclopentylidene]acetate
CID 86619817
ethyl 2-(3-phenylcyclobutylidene)acetate
CID 178132588
ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate
CID 135741391
ethyl 2-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977
ethyl (2E)-2-[4-(4-bromophenyl)-1-(4-methylphenyl)sulfonylazetidin-2-ylidene]acetate
CID 101269457
tert-butyl (1S,3Z)-3-(2-ethoxy-2-oxoethylidene)cyclopentane-1-carboxylate
CID 59547321
ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959
(2E)-2-[3-[4-(dimethylamino)phenyl]cyclopentylidene]acetic acid
CID 82294747
ethyl 2-cyclobutylideneacetate
CID 15724666
methyl 2-[4-(4-carbamoylphenyl)cyclohexylidene]acetate
CID 174776582
ethyl (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)acetate
CID 129213016

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate (CID 59464091) is ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate is CCOC(=O)/C=C1\CC[C@@H](c2ccc(Br)cc2)C1.
What is the InChIKey of ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate?
The InChIKey is XUUNLKWTKJNWQO-OCHBPSSRSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-2-18-15(17)10-11-3-4-13(9-11)12-5-7-14(16)8-6-12/h5-8,10,13H,2-4,9H2,1H3/b11-10+/t13-/m1/s1.
What are the key properties of ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate?
ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate has a molecular weight of 309.20 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate is sourced from PubChem (CID 59464091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).