6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene

C11H13NO2 — CID 12835978

IUPAC6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1[N+](=O)[O-])CCCC2
InChIInChI=1S/C11H13NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h6-7H,2-5H2,1H3
InChIKeyZUYYNZMAVUREES-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.78
Rot. Bonds1

About 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene

6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene (PubChem CID 12835978) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene
PubChem CID12835978
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1[N+](=O)[O-])CCCC2
InChIInChI=1S/C11H13NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h6-7H,2-5H2,1H3
InChIKeyZUYYNZMAVUREES-UHFFFAOYSA-N
XLogP2.78
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene (CID 12835978) is 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene is Cc1ccc2c(c1[N+](=O)[O-])CCCC2.
What is the InChIKey of 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZUYYNZMAVUREES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h6-7H,2-5H2,1H3.
What are the key properties of 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene?
6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 191.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 12835978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).