diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate

C16H18O6 — CID 101461846

IUPACdiethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1C(C(=O)c2ccco2)=CC[C@@H]1C(=O)OCC
InChIInChI=1S/C16H18O6/c1-3-20-15(18)11-8-7-10(13(11)16(19)21-4-2)14(17)12-6-5-9-22-12/h5-7,9,11,13H,3-4,8H2,1-2H3/t11-,13+/m0/s1
InChIKeyJOKUFGCXDKEJSH-WCQYABFASA-N
MW306.31 g/mol
LogP2.15
Rot. Bonds6

About diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate

diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate (PubChem CID 101461846) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate
PubChem CID101461846
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Namediethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1C(C(=O)c2ccco2)=CC[C@@H]1C(=O)OCC
InChIInChI=1S/C16H18O6/c1-3-20-15(18)11-8-7-10(13(11)16(19)21-4-2)14(17)12-6-5-9-22-12/h5-7,9,11,13H,3-4,8H2,1-2H3/t11-,13+/m0/s1
InChIKeyJOKUFGCXDKEJSH-WCQYABFASA-N
XLogP2.15
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate
CID 102387076
ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
CID 100613530
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
diethyl (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 22215188
diethyl 4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 564350
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
sodium;ethyl 3-(furan-2-yl)-3-oxopropanoate;hydride
CID 175451832
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338

Frequently Asked Questions

What is the IUPAC name of diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate?
The IUPAC name of diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate (CID 101461846) is diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate.
What is the SMILES notation for diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate?
The canonical SMILES for diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate is CCOC(=O)[C@@H]1C(C(=O)c2ccco2)=CC[C@@H]1C(=O)OCC.
What is the InChIKey of diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate?
The InChIKey is JOKUFGCXDKEJSH-WCQYABFASA-N. The full InChI is InChI=1S/C16H18O6/c1-3-20-15(18)11-8-7-10(13(11)16(19)21-4-2)14(17)12-6-5-9-22-12/h5-7,9,11,13H,3-4,8H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate?
diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate has a molecular weight of 306.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate is sourced from PubChem (CID 101461846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).