cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate

C14H10N2O6 — CID 122214502

IUPACcis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate
SMILESCOC(=O)[C@@]1(C#N)C(C(=O)c2ccco2)[C@@]1(C#N)C(=O)OC
InChIInChI=1S/C14H10N2O6/c1-20-11(18)13(6-15)10(9(17)8-4-3-5-22-8)14(13,7-16)12(19)21-2/h3-5,10H,1-2H3/t10?,13-,14+
InChIKeyPQPOXWRENZAQIE-FTNCPSPGSA-N
MW302.24 g/mol
LogP0.46
Rot. Bonds4

About cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate

cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate (PubChem CID 122214502) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate
PubChem CID122214502
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Namecis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate
SMILESCOC(=O)[C@@]1(C#N)C(C(=O)c2ccco2)[C@@]1(C#N)C(=O)OC
InChIInChI=1S/C14H10N2O6/c1-20-11(18)13(6-15)10(9(17)8-4-3-5-22-8)14(13,7-16)12(19)21-2/h3-5,10H,1-2H3/t10?,13-,14+
InChIKeyPQPOXWRENZAQIE-FTNCPSPGSA-N
XLogP0.46
TPSA130.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl 1,2-dicyano-3-(thiophene-2-carbonyl)cyclopropane-1,2-dicarboxylate
CID 110194732
trans-(2S,3R)-2-(furan-2-carbonyl)-3-(4-methoxyphenyl)cyclopropane-1,1-dicarbonitrile
CID 141139260
dimethyl (1R,3R,4R,6R)-5,5-dicyano-4,6-bis(furan-2-yl)-2-oxocyclohexane-1,3-dicarboxylate
CID 7313841
methyl 5-cyano-4-[2-(furan-2-yl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate
CID 4027497
dimethyl 2,3-dicyanobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 548816
methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate
CID 57332306
2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile
CID 141135822
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide
CID 86788421
N-(1-cyanocyclooctyl)furan-2-carboxamide
CID 54904517
methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate
CID 102596315

Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate?
The IUPAC name of cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate (CID 122214502) is cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate.
What is the SMILES notation for cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate?
The canonical SMILES for cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate is COC(=O)[C@@]1(C#N)C(C(=O)c2ccco2)[C@@]1(C#N)C(=O)OC.
What is the InChIKey of cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate?
The InChIKey is PQPOXWRENZAQIE-FTNCPSPGSA-N. The full InChI is InChI=1S/C14H10N2O6/c1-20-11(18)13(6-15)10(9(17)8-4-3-5-22-8)14(13,7-16)12(19)21-2/h3-5,10H,1-2H3/t10?,13-,14+.
What are the key properties of cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate?
cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate has a molecular weight of 302.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (1S,2R)-1,2-dicyano-3-(furan-2-carbonyl)cyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 122214502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).