methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate

C12H12N2O6 — CID 91900402

IUPACmethyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate
SMILESCOC(=O)C(N=O)c1cccc(C(N=O)C(=O)OC)c1
InChIInChI=1S/C12H12N2O6/c1-19-11(15)9(13-17)7-4-3-5-8(6-7)10(14-18)12(16)20-2/h3-6,9-10H,1-2H3
InChIKeyWIEVZXGNCPSVES-UHFFFAOYSA-N
MW280.24 g/mol
LogP1.65
Rot. Bonds6

About methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate

methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate (PubChem CID 91900402) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate
PubChem CID91900402
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Namemethyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate
SMILESCOC(=O)C(N=O)c1cccc(C(N=O)C(=O)OC)c1
InChIInChI=1S/C12H12N2O6/c1-19-11(15)9(13-17)7-4-3-5-8(6-7)10(14-18)12(16)20-2/h3-6,9-10H,1-2H3
InChIKeyWIEVZXGNCPSVES-UHFFFAOYSA-N
XLogP1.65
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate
CID 22165853
methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate
CID 90920727
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium
CID 175456753
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
methyl 2-chloro-2-(3-iodophenyl)acetate
CID 126977832
methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
CID 171213776
methyl 3-[3-(difluoromethyl)phenyl]-3-hydroxy-2-methylpropanoate
CID 115528620
ethane;methyl 2-phenylbut-3-enoate
CID 177056138
acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride
CID 161383135

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate?
The IUPAC name of methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate (CID 91900402) is methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate.
What is the SMILES notation for methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate?
The canonical SMILES for methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate is COC(=O)C(N=O)c1cccc(C(N=O)C(=O)OC)c1.
What is the InChIKey of methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate?
The InChIKey is WIEVZXGNCPSVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6/c1-19-11(15)9(13-17)7-4-3-5-8(6-7)10(14-18)12(16)20-2/h3-6,9-10H,1-2H3.
What are the key properties of methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate?
methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate has a molecular weight of 280.24 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate is sourced from PubChem (CID 91900402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).