3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one

C10H9NO2 — CID 54707125

IUPAC3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1c1ccccc1
InChIInChI=1S/C10H9NO2/c12-8-6-11-10(13)9(8)7-4-2-1-3-5-7/h1-5,12H,6H2,(H,11,13)
InChIKeyJCJVLKOEGYMNTP-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.09
Rot. Bonds1

About 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one

3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one (PubChem CID 54707125) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one
PubChem CID54707125
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1c1ccccc1
InChIInChI=1S/C10H9NO2/c12-8-6-11-10(13)9(8)7-4-2-1-3-5-7/h1-5,12H,6H2,(H,11,13)
InChIKeyJCJVLKOEGYMNTP-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one (CID 54707125) is 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one is O=C1NCC(O)=C1c1ccccc1.
What is the InChIKey of 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one?
The InChIKey is JCJVLKOEGYMNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-8-6-11-10(13)9(8)7-4-2-1-3-5-7/h1-5,12H,6H2,(H,11,13).
What are the key properties of 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one?
3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one has a molecular weight of 175.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 54707125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).