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

C12H13NO2 — CID 102129854

IUPAC2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one
SMILESCCC1NC(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C12H13NO2/c1-2-9-11(14)10(12(15)13-9)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3,(H,13,15)
InChIKeyVPPQQBMFDBFWMN-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.86
Rot. Bonds2

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

2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one (PubChem CID 102129854) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one
PubChem CID102129854
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one
SMILESCCC1NC(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C12H13NO2/c1-2-9-11(14)10(12(15)13-9)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3,(H,13,15)
InChIKeyVPPQQBMFDBFWMN-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one (CID 102129854) is 2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one is CCC1NC(=O)C(c2ccccc2)=C1O.
What is the InChIKey of 2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one?
The InChIKey is VPPQQBMFDBFWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-9-11(14)10(12(15)13-9)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3,(H,13,15).
What are the key properties of 2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one?
2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one has a molecular weight of 203.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-4-phenyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 102129854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).