2-methoxy-1-nitrosonaphthalene

C11H9NO2 — CID 147909055

IUPAC2-methoxy-1-nitrosonaphthalene
SMILESCOc1ccc2ccccc2c1N=O
InChIInChI=1S/C11H9NO2/c1-14-10-7-6-8-4-2-3-5-9(8)11(10)12-13/h2-7H,1H3
InChIKeyIFTCYOMULOSILQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP3.25
Rot. Bonds2

About 2-methoxy-1-nitrosonaphthalene

2-methoxy-1-nitrosonaphthalene (PubChem CID 147909055) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-methoxy-1-nitrosonaphthalene.

Molecular Properties

Compound Name2-methoxy-1-nitrosonaphthalene
PubChem CID147909055
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-methoxy-1-nitrosonaphthalene
SMILESCOc1ccc2ccccc2c1N=O
InChIInChI=1S/C11H9NO2/c1-14-10-7-6-8-4-2-3-5-9(8)11(10)12-13/h2-7H,1H3
InChIKeyIFTCYOMULOSILQ-UHFFFAOYSA-N
XLogP3.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-nitrosonaphthalene?
The IUPAC name of 2-methoxy-1-nitrosonaphthalene (CID 147909055) is 2-methoxy-1-nitrosonaphthalene.
What is the SMILES notation for 2-methoxy-1-nitrosonaphthalene?
The canonical SMILES for 2-methoxy-1-nitrosonaphthalene is COc1ccc2ccccc2c1N=O.
What is the InChIKey of 2-methoxy-1-nitrosonaphthalene?
The InChIKey is IFTCYOMULOSILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-10-7-6-8-4-2-3-5-9(8)11(10)12-13/h2-7H,1H3.
What are the key properties of 2-methoxy-1-nitrosonaphthalene?
2-methoxy-1-nitrosonaphthalene has a molecular weight of 187.20 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-nitrosonaphthalene is sourced from PubChem (CID 147909055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).