3-methyl-2-nitrosobenzamide

C8H8N2O2 — CID 88560942

IUPAC3-methyl-2-nitrosobenzamide
SMILESCc1cccc(C(N)=O)c1N=O
InChIInChI=1S/C8H8N2O2/c1-5-3-2-4-6(8(9)11)7(5)10-12/h2-4H,1H3,(H2,9,11)
InChIKeyGCQAIFSQXQYQLY-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.49
Rot. Bonds2

About 3-methyl-2-nitrosobenzamide

3-methyl-2-nitrosobenzamide (PubChem CID 88560942) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-methyl-2-nitrosobenzamide.

Molecular Properties

Compound Name3-methyl-2-nitrosobenzamide
PubChem CID88560942
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-methyl-2-nitrosobenzamide
SMILESCc1cccc(C(N)=O)c1N=O
InChIInChI=1S/C8H8N2O2/c1-5-3-2-4-6(8(9)11)7(5)10-12/h2-4H,1H3,(H2,9,11)
InChIKeyGCQAIFSQXQYQLY-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

3-methyl-2-(propan-2-ylideneamino)benzamide;hydrochloride
CID 141084680
2,3-dimethylbenzamide;ethane
CID 143389789
2-methylbenzamide;molecular hydrogen
CID 177161283
1-chloro-3-methyl-2-nitrosobenzene
CID 89289112
2-methylbenzamide;phenol
CID 160508327
2-(2-carbamoyl-6-methylphenyl)benzoic acid
CID 170993072
2-methyl-5-nitrosobenzamide
CID 142265489
3-methyl-2-(methylamino)benzenecarbothioamide
CID 107107657
2-[(1-amino-2-chloroethylidene)amino]-3-methylbenzoic acid
CID 169365012
2-[4-(1,1-difluoroethyl)phenyl]-3-methylbenzamide
CID 162577418
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
3-methyl-2-thiophen-2-ylbenzamide
CID 67400493

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-nitrosobenzamide?
The IUPAC name of 3-methyl-2-nitrosobenzamide (CID 88560942) is 3-methyl-2-nitrosobenzamide.
What is the SMILES notation for 3-methyl-2-nitrosobenzamide?
The canonical SMILES for 3-methyl-2-nitrosobenzamide is Cc1cccc(C(N)=O)c1N=O.
What is the InChIKey of 3-methyl-2-nitrosobenzamide?
The InChIKey is GCQAIFSQXQYQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-3-2-4-6(8(9)11)7(5)10-12/h2-4H,1H3,(H2,9,11).
What are the key properties of 3-methyl-2-nitrosobenzamide?
3-methyl-2-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 3-methyl-2-nitrosobenzamide is sourced from PubChem (CID 88560942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).