[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate

C15H13NO4 — CID 34144593

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
SMILESO=C(Oc1ccc(N2CCCC2=O)cc1)c1ccoc1
InChIInChI=1S/C15H13NO4/c17-14-2-1-8-16(14)12-3-5-13(6-4-12)20-15(18)11-7-9-19-10-11/h3-7,9-10H,1-2,8H2
InChIKeyHOIXFXZVXPOUFJ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.63
Rot. Bonds3

About [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate

[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate (PubChem CID 34144593) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
PubChem CID34144593
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
SMILESO=C(Oc1ccc(N2CCCC2=O)cc1)c1ccoc1
InChIInChI=1S/C15H13NO4/c17-14-2-1-8-16(14)12-3-5-13(6-4-12)20-15(18)11-7-9-19-10-11/h3-7,9-10H,1-2,8H2
InChIKeyHOIXFXZVXPOUFJ-UHFFFAOYSA-N
XLogP2.63
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 51218356
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate
CID 35435866
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
[4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate
CID 35545788
[4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 51112697
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-fluoro-2-methylbenzoate
CID 33089114
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 34752632
[4-(2-oxopyrrolidin-1-yl)phenyl] 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 134047665
[4-(2-oxopyrrolidin-1-yl)phenyl] 4-imidazol-1-yl-3-nitrobenzoate
CID 51218348
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
CID 51110358
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 167376306

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate (CID 34144593) is [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate is O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccoc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate?
The InChIKey is HOIXFXZVXPOUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14-2-1-8-16(14)12-3-5-13(6-4-12)20-15(18)11-7-9-19-10-11/h3-7,9-10H,1-2,8H2.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate?
[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate is sourced from PubChem (CID 34144593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).