2-methyl-5-nitrosobenzamide

C8H8N2O2 — CID 142265489

IUPAC2-methyl-5-nitrosobenzamide
SMILESCc1ccc(N=O)cc1C(N)=O
InChIInChI=1S/C8H8N2O2/c1-5-2-3-6(10-12)4-7(5)8(9)11/h2-4H,1H3,(H2,9,11)
InChIKeyJHSYJMSIQBUKMH-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.49
Rot. Bonds2

About 2-methyl-5-nitrosobenzamide

2-methyl-5-nitrosobenzamide (PubChem CID 142265489) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-methyl-5-nitrosobenzamide.

Molecular Properties

Compound Name2-methyl-5-nitrosobenzamide
PubChem CID142265489
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-methyl-5-nitrosobenzamide
SMILESCc1ccc(N=O)cc1C(N)=O
InChIInChI=1S/C8H8N2O2/c1-5-2-3-6(10-12)4-7(5)8(9)11/h2-4H,1H3,(H2,9,11)
InChIKeyJHSYJMSIQBUKMH-UHFFFAOYSA-N
XLogP1.49
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-nitrosobenzamide
CID 13376420
2-methyl-5-(2-methyl-4-pyridinyl)benzamide
CID 68606460
(2-methyl-5-nitrosophenyl)methanol
CID 123266792
3-methyl-2-nitrosobenzamide
CID 88560942
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
2-methyl-5-(1,2,4-triazol-4-yl)benzamide
CID 68605701
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
2-hydroxy-4-methyl-3-propan-2-ylbenzamide
CID 57373684
2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
2-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 142718216
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
3-fluoro-2,4-dimethylbenzamide
CID 119006165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitrosobenzamide?
The IUPAC name of 2-methyl-5-nitrosobenzamide (CID 142265489) is 2-methyl-5-nitrosobenzamide.
What is the SMILES notation for 2-methyl-5-nitrosobenzamide?
The canonical SMILES for 2-methyl-5-nitrosobenzamide is Cc1ccc(N=O)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-nitrosobenzamide?
The InChIKey is JHSYJMSIQBUKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-2-3-6(10-12)4-7(5)8(9)11/h2-4H,1H3,(H2,9,11).
What are the key properties of 2-methyl-5-nitrosobenzamide?
2-methyl-5-nitrosobenzamide has a molecular weight of 164.16 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitrosobenzamide is sourced from PubChem (CID 142265489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).