[4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate

C15H11NO5 — CID 929919

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccco1
InChIInChI=1S/C15H11NO5/c17-13-7-8-14(18)16(13)10-3-5-11(6-4-10)21-15(19)12-2-1-9-20-12/h1-6,9H,7-8H2
InChIKeyHAZAUKRJIIRAEV-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.15
Rot. Bonds3

About [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate

[4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate (PubChem CID 929919) has the molecular formula C15H11NO5 and a molecular weight of 285.25 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate
PubChem CID929919
Molecular FormulaC15H11NO5
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccco1
InChIInChI=1S/C15H11NO5/c17-13-7-8-14(18)16(13)10-3-5-11(6-4-10)21-15(19)12-2-1-9-20-12/h1-6,9H,7-8H2
InChIKeyHAZAUKRJIIRAEV-UHFFFAOYSA-N
XLogP2.15
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] furan-2-carboxylate
CID 4256331
[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] furan-2-carboxylate
CID 7279861
[4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl] furan-2-carboxylate
CID 2186179
[4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl] furan-2-carboxylate
CID 6593763
(4-methylphenyl) 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 815039
(4-imidazol-1-ylphenyl) furan-2-carboxylate
CID 836219
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 3-methoxybenzoate
CID 23936949
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
[4-[(15R,19R)-15-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]phenyl] furan-2-carboxylate
CID 1314286
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481
[3-[(1R,2S,6S,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl] furan-2-carboxylate
CID 98339218

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate (CID 929919) is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate is O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccco1.
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate?
The InChIKey is HAZAUKRJIIRAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c17-13-7-8-14(18)16(13)10-3-5-11(6-4-10)21-15(19)12-2-1-9-20-12/h1-6,9H,7-8H2.
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate?
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate has a molecular weight of 285.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate is sourced from PubChem (CID 929919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).