(5-oxo-1,2-dihydropyrrol-3-yl) benzoate

C11H9NO3 — CID 15270201

IUPAC(5-oxo-1,2-dihydropyrrol-3-yl) benzoate
SMILESO=C1C=C(OC(=O)c2ccccc2)CN1
InChIInChI=1S/C11H9NO3/c13-10-6-9(7-12-10)15-11(14)8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)
InChIKeyMWJNYNKNWFJRMJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.86
Rot. Bonds2

About (5-oxo-1,2-dihydropyrrol-3-yl) benzoate

(5-oxo-1,2-dihydropyrrol-3-yl) benzoate (PubChem CID 15270201) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (5-oxo-1,2-dihydropyrrol-3-yl) benzoate.

Molecular Properties

Compound Name(5-oxo-1,2-dihydropyrrol-3-yl) benzoate
PubChem CID15270201
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(5-oxo-1,2-dihydropyrrol-3-yl) benzoate
SMILESO=C1C=C(OC(=O)c2ccccc2)CN1
InChIInChI=1S/C11H9NO3/c13-10-6-9(7-12-10)15-11(14)8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)
InChIKeyMWJNYNKNWFJRMJ-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
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bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
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(4-fluorophenyl) 4-benzoyloxybenzoate
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[(2S)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl] benzoate
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CID 19766641
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Frequently Asked Questions

What is the IUPAC name of (5-oxo-1,2-dihydropyrrol-3-yl) benzoate?
The IUPAC name of (5-oxo-1,2-dihydropyrrol-3-yl) benzoate (CID 15270201) is (5-oxo-1,2-dihydropyrrol-3-yl) benzoate.
What is the SMILES notation for (5-oxo-1,2-dihydropyrrol-3-yl) benzoate?
The canonical SMILES for (5-oxo-1,2-dihydropyrrol-3-yl) benzoate is O=C1C=C(OC(=O)c2ccccc2)CN1.
What is the InChIKey of (5-oxo-1,2-dihydropyrrol-3-yl) benzoate?
The InChIKey is MWJNYNKNWFJRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10-6-9(7-12-10)15-11(14)8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13).
What are the key properties of (5-oxo-1,2-dihydropyrrol-3-yl) benzoate?
(5-oxo-1,2-dihydropyrrol-3-yl) benzoate has a molecular weight of 203.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1,2-dihydropyrrol-3-yl) benzoate is sourced from PubChem (CID 15270201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).