2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one

C7H5NO3 — CID 16807

IUPAC2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one
SMILESO=Nc1ccc(O)c(=O)cc1
InChIInChI=1S/C7H5NO3/c9-6-3-1-5(8-11)2-4-7(6)10/h1-4H,(H,9,10)
InChIKeyFYTNKOSUJSUKML-UHFFFAOYSA-N
MW151.12 g/mol
LogP1.15
Rot. Bonds1

About 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one

2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one (PubChem CID 16807) has the molecular formula C7H5NO3 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one
PubChem CID16807
Molecular FormulaC7H5NO3
Molecular Weight151.12 g/mol
Exact Mass151.03
IUPAC Name2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one
SMILESO=Nc1ccc(O)c(=O)cc1
InChIInChI=1S/C7H5NO3/c9-6-3-1-5(8-11)2-4-7(6)10/h1-4H,(H,9,10)
InChIKeyFYTNKOSUJSUKML-UHFFFAOYSA-N
XLogP1.15
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one (CID 16807) is 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one is O=Nc1ccc(O)c(=O)cc1.
What is the InChIKey of 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one?
The InChIKey is FYTNKOSUJSUKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3/c9-6-3-1-5(8-11)2-4-7(6)10/h1-4H,(H,9,10).
What are the key properties of 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one?
2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one has a molecular weight of 151.12 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 16807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).