methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate

C17H14N2O4 — CID 168695010

IUPACmethyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2oc(-c3ccccc3)cc2C#N)C1
InChIInChI=1S/C17H14N2O4/c1-22-17(21)13-8-15(20)19(10-13)16-12(9-18)7-14(23-16)11-5-3-2-4-6-11/h2-7,13H,8,10H2,1H3
InChIKeyPXPKGKRUIWANDR-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.34
Rot. Bonds3

About methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168695010) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168695010
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2oc(-c3ccccc3)cc2C#N)C1
InChIInChI=1S/C17H14N2O4/c1-22-17(21)13-8-15(20)19(10-13)16-12(9-18)7-14(23-16)11-5-3-2-4-6-11/h2-7,13H,8,10H2,1H3
InChIKeyPXPKGKRUIWANDR-UHFFFAOYSA-N
XLogP2.34
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694884
[1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674279
methyl 1-(4-bromo-2-cyanophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694787
methyl 1-(3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694996
methyl 1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694008
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693996
methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695526
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
methyl 1-(2-iodophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694888
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693233

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate (CID 168695010) is methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2oc(-c3ccccc3)cc2C#N)C1.
What is the InChIKey of methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is PXPKGKRUIWANDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-17(21)13-8-15(20)19(10-13)16-12(9-18)7-14(23-16)11-5-3-2-4-6-11/h2-7,13H,8,10H2,1H3.
What are the key properties of methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168695010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).