4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one

C10H9N3O3 — CID 54465544

IUPAC4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=NCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H9N3O3/c14-9-6-13(10(15)5-11-16)8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,12,14)
InChIKeyXEOLLALFIGOWMV-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.74
Rot. Bonds2

About 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one

4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 54465544) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
PubChem CID54465544
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=NCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H9N3O3/c14-9-6-13(10(15)5-11-16)8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,12,14)
InChIKeyXEOLLALFIGOWMV-UHFFFAOYSA-N
XLogP0.74
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962
4-[2-(1,1-dioxothiolan-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 60669141
4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 61399698
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-[2-(2-bromophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 27087539
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one (CID 54465544) is 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one is O=NCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is XEOLLALFIGOWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-9-6-13(10(15)5-11-16)8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,12,14).
What are the key properties of 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one?
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 219.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 54465544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).