2-methyl-1-nitronaphthalene

C11H9NO2 — CID 13432

IUPAC2-methyl-1-nitronaphthalene
SMILESCc1ccc2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3
InChIKeyIZNWACYOILBFEG-UHFFFAOYSA-N
MW187.20 g/mol
LogP3.06
Rot. Bonds1

About 2-methyl-1-nitronaphthalene

2-methyl-1-nitronaphthalene (PubChem CID 13432) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-methyl-1-nitronaphthalene.

Molecular Properties

Compound Name2-methyl-1-nitronaphthalene
PubChem CID13432
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-methyl-1-nitronaphthalene
SMILESCc1ccc2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3
InChIKeyIZNWACYOILBFEG-UHFFFAOYSA-N
XLogP3.06
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Nitroacenaphthene
CID 11769
1-Nitropyrene
CID 21694
1-Nitronaphthalene
CID 6849
6-Nitrobenzo(a)pyrene
CID 44374
3-Nitrofluoranthene
CID 13462
6-Nitrochrysene
CID 24121
1,6-Dinitropyrene
CID 39184
1,8-Dinitropyrene
CID 39185
1,3-Dinitropyrene
CID 53230
4-Nitropyrene
CID 62134
3-Nitrobenzo(a)pyrene
CID 50961
1-Nitrobenzo(a)pyrene
CID 50958

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-nitronaphthalene?
The IUPAC name of 2-methyl-1-nitronaphthalene (CID 13432) is 2-methyl-1-nitronaphthalene.
What is the SMILES notation for 2-methyl-1-nitronaphthalene?
The canonical SMILES for 2-methyl-1-nitronaphthalene is Cc1ccc2ccccc2c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-nitronaphthalene?
The InChIKey is IZNWACYOILBFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3.
What are the key properties of 2-methyl-1-nitronaphthalene?
2-methyl-1-nitronaphthalene has a molecular weight of 187.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nitronaphthalene is sourced from PubChem (CID 13432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).