1-methyl-4-nitrosobenzene

C7H7NO — CID 12166

IUPAC1-methyl-4-nitrosobenzene
SMILESCc1ccc(N=O)cc1
InChIInChI=1S/C7H7NO/c1-6-2-4-7(8-9)5-3-6/h2-5H,1H3
InChIKeyNYJYFSGMYHSTNZ-UHFFFAOYSA-N
MW121.14 g/mol
LogP2.39
Rot. Bonds1

About 1-methyl-4-nitrosobenzene

1-methyl-4-nitrosobenzene (PubChem CID 12166) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 1-methyl-4-nitrosobenzene.

Molecular Properties

Compound Name1-methyl-4-nitrosobenzene
PubChem CID12166
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name1-methyl-4-nitrosobenzene
SMILESCc1ccc(N=O)cc1
InChIInChI=1S/C7H7NO/c1-6-2-4-7(8-9)5-3-6/h2-5H,1H3
InChIKeyNYJYFSGMYHSTNZ-UHFFFAOYSA-N
XLogP2.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Nitrotoluene
CID 6944
p-Toluidine
CID 7813
4-Nitro-1,1'-biphenyl
CID 7114
2,4,6-Trinitrotoluene
CID 8376
3-Nitrotoluene
CID 7422
4-Nitrotoluene
CID 7473
2,4-Dinitrotoluene
CID 8461
4-Nitrobenzyl bromide
CID 66011
4-Nitrobenzyl chloride
CID 7482
3,4-Dinitrotoluene
CID 11883
4-Nitro-o-xylene
CID 7440
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitrosobenzene?
The IUPAC name of 1-methyl-4-nitrosobenzene (CID 12166) is 1-methyl-4-nitrosobenzene.
What is the SMILES notation for 1-methyl-4-nitrosobenzene?
The canonical SMILES for 1-methyl-4-nitrosobenzene is Cc1ccc(N=O)cc1.
What is the InChIKey of 1-methyl-4-nitrosobenzene?
The InChIKey is NYJYFSGMYHSTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-2-4-7(8-9)5-3-6/h2-5H,1H3.
What are the key properties of 1-methyl-4-nitrosobenzene?
1-methyl-4-nitrosobenzene has a molecular weight of 121.14 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitrosobenzene is sourced from PubChem (CID 12166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).