methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate

C14H10N2O3 — CID 139191048

IUPACmethyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate
SMILESCOC(=O)C1=CC(C#N)(C#N)O[C@@H]1c1ccccc1
InChIInChI=1S/C14H10N2O3/c1-18-13(17)11-7-14(8-15,9-16)19-12(11)10-5-3-2-4-6-10/h2-7,12H,1H3/t12-/m1/s1
InChIKeyGCSKXNWDTIZBFI-GFCCVEGCSA-N
MW254.25 g/mol
LogP1.64
Rot. Bonds2

About methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate

methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate (PubChem CID 139191048) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate
PubChem CID139191048
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Namemethyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate
SMILESCOC(=O)C1=CC(C#N)(C#N)O[C@@H]1c1ccccc1
InChIInChI=1S/C14H10N2O3/c1-18-13(17)11-7-14(8-15,9-16)19-12(11)10-5-3-2-4-6-10/h2-7,12H,1H3/t12-/m1/s1
InChIKeyGCSKXNWDTIZBFI-GFCCVEGCSA-N
XLogP1.64
TPSA83.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyanoethyl benzoate
CID 219225
1-Cyanoethyl benzoate
CID 285242
Ethyl 2-cyanobenzoate
CID 243890
(R)-alpha-Acetoxyphenylacetonitrile
CID 11041226
tert-butyl (E)-3-[(3S,6S)-6-(2-oxo-2-phenylmethoxyethyl)dioxan-3-yl]prop-2-enoate
CID 53380494
tert-butyl (Z)-3-[(3S,6S)-6-(2-oxo-2-phenylmethoxyethyl)dioxan-3-yl]prop-2-enoate
CID 56677268
Methyl 2-[acetyloxy-(4-fluorophenyl)methyl]prop-2-enoate
CID 10705944
(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-phenyl-2H-furan-5-one
CID 122662622
2-methyl-4-phenyl-2H-furan-5-one
CID 506530
Mandelonitrile benzoate
CID 92983
1,2-Benzenedicarboxylic acid, 1,2-bis(1-cyanoethyl) ester
CID 110837
[(S)-cyano(phenyl)methyl] benzoate
CID 12024906

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate?
The IUPAC name of methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate (CID 139191048) is methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate.
What is the SMILES notation for methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate?
The canonical SMILES for methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate is COC(=O)C1=CC(C#N)(C#N)O[C@@H]1c1ccccc1.
What is the InChIKey of methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate?
The InChIKey is GCSKXNWDTIZBFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-18-13(17)11-7-14(8-15,9-16)19-12(11)10-5-3-2-4-6-10/h2-7,12H,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate?
methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5,5-dicyano-2-phenyl-2H-furan-3-carboxylate is sourced from PubChem (CID 139191048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).