methyl 2-(methylamino)-5-nitrosobenzoate

C9H10N2O3 — CID 82254168

IUPACmethyl 2-(methylamino)-5-nitrosobenzoate
SMILESCNc1ccc(N=O)cc1C(=O)OC
InChIInChI=1S/C9H10N2O3/c1-10-8-4-3-6(11-13)5-7(8)9(12)14-2/h3-5,10H,1-2H3
InChIKeyNGZBAOSIOBJIEY-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.91
Rot. Bonds3

About methyl 2-(methylamino)-5-nitrosobenzoate

methyl 2-(methylamino)-5-nitrosobenzoate (PubChem CID 82254168) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 2-(methylamino)-5-nitrosobenzoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-5-nitrosobenzoate
PubChem CID82254168
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namemethyl 2-(methylamino)-5-nitrosobenzoate
SMILESCNc1ccc(N=O)cc1C(=O)OC
InChIInChI=1S/C9H10N2O3/c1-10-8-4-3-6(11-13)5-7(8)9(12)14-2/h3-5,10H,1-2H3
InChIKeyNGZBAOSIOBJIEY-UHFFFAOYSA-N
XLogP1.91
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-tert-butyl-5-nitrosobenzoate
CID 163539402
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
1-N-methyl-4-nitrosobenzene-1,2-diamine
CID 88570571
methyl 4,5-dichloro-2-(methylamino)benzoate
CID 156642662
methyl 5-bromo-2-(trideuteriomethylamino)benzoate
CID 155292068
methyl 5-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]-2-(methylamino)benzoate
CID 154172525
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
4-chloro-2-methoxycarbonyl-1-(sulfinoamino)benzene
CID 71212919
methyl 4-[4-[4-methoxycarbonyl-3-(methylamino)phenoxy]butoxy]-2-(methylamino)benzoate
CID 162752160
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
5-methoxy-2-(methylamino)benzamide
CID 66991664

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-5-nitrosobenzoate?
The IUPAC name of methyl 2-(methylamino)-5-nitrosobenzoate (CID 82254168) is methyl 2-(methylamino)-5-nitrosobenzoate.
What is the SMILES notation for methyl 2-(methylamino)-5-nitrosobenzoate?
The canonical SMILES for methyl 2-(methylamino)-5-nitrosobenzoate is CNc1ccc(N=O)cc1C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-5-nitrosobenzoate?
The InChIKey is NGZBAOSIOBJIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-10-8-4-3-6(11-13)5-7(8)9(12)14-2/h3-5,10H,1-2H3.
What are the key properties of methyl 2-(methylamino)-5-nitrosobenzoate?
methyl 2-(methylamino)-5-nitrosobenzoate has a molecular weight of 194.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-5-nitrosobenzoate is sourced from PubChem (CID 82254168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).