cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate

C15H17ClO3 — CID 102328441

IUPACcis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClO3/c1-2-19-15(18)13-8-4-7-12(13)14(17)10-5-3-6-11(16)9-10/h3,5-6,9,12-13H,2,4,7-8H2,1H3/t12-,13+/m0/s1
InChIKeyLQADZQGFEOWMEJ-QWHCGFSZSA-N
MW280.75 g/mol
LogP3.50
Rot. Bonds4

About cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate

cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate (PubChem CID 102328441) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate
PubChem CID102328441
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Namecis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClO3/c1-2-19-15(18)13-8-4-7-12(13)14(17)10-5-3-6-11(16)9-10/h3,5-6,9,12-13H,2,4,7-8H2,1H3/t12-,13+/m0/s1
InChIKeyLQADZQGFEOWMEJ-QWHCGFSZSA-N
XLogP3.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
ethyl (2R,3R)-2-(3-chlorophenyl)pyrrolidine-3-carboxylate
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CID 110798803
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone
CID 116584431
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
1-O-ethyl 2-O-(3-fluorophenyl) cyclohexane-1,2-dicarboxylate
CID 91727998
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
diethyl 2-[(3-chlorophenyl)-phenylmethylidene]propanedioate
CID 11462500
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
ethyl 3-(cyclopentanecarbonyl)benzoate
CID 24724160

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate (CID 102328441) is cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCC[C@@H]1C(=O)c1cccc(Cl)c1.
What is the InChIKey of cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate?
The InChIKey is LQADZQGFEOWMEJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H17ClO3/c1-2-19-15(18)13-8-4-7-12(13)14(17)10-5-3-6-11(16)9-10/h3,5-6,9,12-13H,2,4,7-8H2,1H3/t12-,13+/m0/s1.
What are the key properties of cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate?
cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate has a molecular weight of 280.75 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 102328441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).