3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one

C10H8N2O3 — CID 136663408

IUPAC3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one
SMILESO=NC1=C(O)CN(c2ccccc2)C1=O
InChIInChI=1S/C10H8N2O3/c13-8-6-12(10(14)9(8)11-15)7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKeyHGFKADLZQKLLMI-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.57
Rot. Bonds2

About 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one

3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one (PubChem CID 136663408) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one
PubChem CID136663408
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one
SMILESO=NC1=C(O)CN(c2ccccc2)C1=O
InChIInChI=1S/C10H8N2O3/c13-8-6-12(10(14)9(8)11-15)7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKeyHGFKADLZQKLLMI-UHFFFAOYSA-N
XLogP1.57
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one (CID 136663408) is 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one is O=NC1=C(O)CN(c2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one?
The InChIKey is HGFKADLZQKLLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-8-6-12(10(14)9(8)11-15)7-4-2-1-3-5-7/h1-5,13H,6H2.
What are the key properties of 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one?
3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one has a molecular weight of 204.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 136663408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).