2-methyl-1,4-dinitrosobenzene

C7H6N2O2 — CID 2749266

IUPAC2-methyl-1,4-dinitrosobenzene
SMILESCc1cc(N=O)ccc1N=O
InChIInChI=1S/C7H6N2O2/c1-5-4-6(8-10)2-3-7(5)9-11/h2-4H,1H3
InChIKeyXMQHFKGYFIMGMV-UHFFFAOYSA-N
MW150.14 g/mol
LogP2.79
Rot. Bonds2

About 2-methyl-1,4-dinitrosobenzene

2-methyl-1,4-dinitrosobenzene (PubChem CID 2749266) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-methyl-1,4-dinitrosobenzene.

Molecular Properties

Compound Name2-methyl-1,4-dinitrosobenzene
PubChem CID2749266
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name2-methyl-1,4-dinitrosobenzene
SMILESCc1cc(N=O)ccc1N=O
InChIInChI=1S/C7H6N2O2/c1-5-4-6(8-10)2-3-7(5)9-11/h2-4H,1H3
InChIKeyXMQHFKGYFIMGMV-UHFFFAOYSA-N
XLogP2.79
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dinitrosobenzene?
The IUPAC name of 2-methyl-1,4-dinitrosobenzene (CID 2749266) is 2-methyl-1,4-dinitrosobenzene.
What is the SMILES notation for 2-methyl-1,4-dinitrosobenzene?
The canonical SMILES for 2-methyl-1,4-dinitrosobenzene is Cc1cc(N=O)ccc1N=O.
What is the InChIKey of 2-methyl-1,4-dinitrosobenzene?
The InChIKey is XMQHFKGYFIMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-5-4-6(8-10)2-3-7(5)9-11/h2-4H,1H3.
What are the key properties of 2-methyl-1,4-dinitrosobenzene?
2-methyl-1,4-dinitrosobenzene has a molecular weight of 150.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dinitrosobenzene is sourced from PubChem (CID 2749266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).