2-amino-1-(4-nitrosophenyl)ethanone

C8H8N2O2 — CID 149398034

IUPAC2-amino-1-(4-nitrosophenyl)ethanone
SMILESNCC(=O)c1ccc(N=O)cc1
InChIInChI=1S/C8H8N2O2/c9-5-8(11)6-1-3-7(10-12)4-2-6/h1-4H,5,9H2
InChIKeyYOVMBCRGCGDABM-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.23
Rot. Bonds3

About 2-amino-1-(4-nitrosophenyl)ethanone

2-amino-1-(4-nitrosophenyl)ethanone (PubChem CID 149398034) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-amino-1-(4-nitrosophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-nitrosophenyl)ethanone
PubChem CID149398034
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-amino-1-(4-nitrosophenyl)ethanone
SMILESNCC(=O)c1ccc(N=O)cc1
InChIInChI=1S/C8H8N2O2/c9-5-8(11)6-1-3-7(10-12)4-2-6/h1-4H,5,9H2
InChIKeyYOVMBCRGCGDABM-UHFFFAOYSA-N
XLogP1.23
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
4-[4-(2-aminoacetyl)phenyl]benzoic acid
CID 170860582
2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride
CID 71313244
2-amino-1-(4-methylsulfonylphenyl)ethanone
CID 2763582
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
CID 174473009
[4-(2-aminoacetyl)phenyl]methyl-trimethylazanium bromide
CID 170860760
2-[4-(2-aminoacetyl)phenoxy]acetic acid
CID 14536945
2-amino-1-[4-(4-amino-1,2-dihydroxybutyl)phenyl]ethanone
CID 171881746
2-amino-1-[4-(4-anilinophenyl)phenyl]ethanone
CID 67905535

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-nitrosophenyl)ethanone?
The IUPAC name of 2-amino-1-(4-nitrosophenyl)ethanone (CID 149398034) is 2-amino-1-(4-nitrosophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-nitrosophenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-nitrosophenyl)ethanone is NCC(=O)c1ccc(N=O)cc1.
What is the InChIKey of 2-amino-1-(4-nitrosophenyl)ethanone?
The InChIKey is YOVMBCRGCGDABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-5-8(11)6-1-3-7(10-12)4-2-6/h1-4H,5,9H2.
What are the key properties of 2-amino-1-(4-nitrosophenyl)ethanone?
2-amino-1-(4-nitrosophenyl)ethanone has a molecular weight of 164.16 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-nitrosophenyl)ethanone is sourced from PubChem (CID 149398034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).