7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene

C11H13NO — CID 122544055

IUPAC7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene
SMILESCC1=C(N=O)C=C2C=CCCC2C1
InChIInChI=1S/C11H13NO/c1-8-6-9-4-2-3-5-10(9)7-11(8)12-13/h3,5,7,9H,2,4,6H2,1H3
InChIKeyYTTRJVPYXOFZQT-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.32
Rot. Bonds1

About 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene

7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene (PubChem CID 122544055) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene
PubChem CID122544055
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene
SMILESCC1=C(N=O)C=C2C=CCCC2C1
InChIInChI=1S/C11H13NO/c1-8-6-9-4-2-3-5-10(9)7-11(8)12-13/h3,5,7,9H,2,4,6H2,1H3
InChIKeyYTTRJVPYXOFZQT-UHFFFAOYSA-N
XLogP3.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene?
The IUPAC name of 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene (CID 122544055) is 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene.
What is the SMILES notation for 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene?
The canonical SMILES for 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene is CC1=C(N=O)C=C2C=CCCC2C1.
What is the InChIKey of 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene?
The InChIKey is YTTRJVPYXOFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-6-9-4-2-3-5-10(9)7-11(8)12-13/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene?
7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene has a molecular weight of 175.23 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene is sourced from PubChem (CID 122544055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).