(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid

C17H13NO4 — CID 94077339

IUPAC(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1
InChIInChI=1S/C17H13NO4/c19-16-7-10(17(20)21)9-18(16)11-5-6-13-12-3-1-2-4-14(12)22-15(13)8-11/h1-6,8,10H,7,9H2,(H,20,21)/t10-/m0/s1
InChIKeyLHPSKUBZNVSMMS-JTQLQIEISA-N
MW295.29 g/mol
LogP3.02
Rot. Bonds2

About (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 94077339) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID94077339
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1
InChIInChI=1S/C17H13NO4/c19-16-7-10(17(20)21)9-18(16)11-5-6-13-12-3-1-2-4-14(12)22-15(13)8-11/h1-6,8,10H,7,9H2,(H,20,21)/t10-/m0/s1
InChIKeyLHPSKUBZNVSMMS-JTQLQIEISA-N
XLogP3.02
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-(1-dibenzofuran-3-yl-5-oxopyrrolidin-3-yl) ethanethioate
CID 168706626
(3R)-1-(2-benzyl-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 95362132
5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid
CID 56695595
1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one
CID 168709956
1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one
CID 168502232
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one
CID 168660701
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
1-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 56772293
5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
CID 75465472
(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 51616571

Frequently Asked Questions

What is the IUPAC name of (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid (CID 94077339) is (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1.
What is the InChIKey of (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LHPSKUBZNVSMMS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13NO4/c19-16-7-10(17(20)21)9-18(16)11-5-6-13-12-3-1-2-4-14(12)22-15(13)8-11/h1-6,8,10H,7,9H2,(H,20,21)/t10-/m0/s1.
What are the key properties of (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94077339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).