6-methyl-1-nitroso-3,4-dihydro-2H-quinoline

C10H12N2O — CID 3481266

IUPAC6-methyl-1-nitroso-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2N=O
InChIInChI=1S/C10H12N2O/c1-8-4-5-10-9(7-8)3-2-6-12(10)11-13/h4-5,7H,2-3,6H2,1H3
InChIKeyQMYWMBKZLHGACT-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.43
Rot. Bonds1

About 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline

6-methyl-1-nitroso-3,4-dihydro-2H-quinoline (PubChem CID 3481266) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-methyl-1-nitroso-3,4-dihydro-2H-quinoline
PubChem CID3481266
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-methyl-1-nitroso-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2N=O
InChIInChI=1S/C10H12N2O/c1-8-4-5-10-9(7-8)3-2-6-12(10)11-13/h4-5,7H,2-3,6H2,1H3
InChIKeyQMYWMBKZLHGACT-UHFFFAOYSA-N
XLogP2.43
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline (CID 3481266) is 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2N=O.
What is the InChIKey of 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline?
The InChIKey is QMYWMBKZLHGACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-4-5-10-9(7-8)3-2-6-12(10)11-13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline?
6-methyl-1-nitroso-3,4-dihydro-2H-quinoline has a molecular weight of 176.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-nitroso-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 3481266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).