6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline

C10H12N2O — CID 176972000

IUPAC6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline
SMILESCC1CCc2ncc(N=O)cc2C1
InChIInChI=1S/C10H12N2O/c1-7-2-3-10-8(4-7)5-9(12-13)6-11-10/h5-7H,2-4H2,1H3
InChIKeyGMRQMFACDXANGP-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.60
Rot. Bonds1

About 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline

6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline (PubChem CID 176972000) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline
PubChem CID176972000
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline
SMILESCC1CCc2ncc(N=O)cc2C1
InChIInChI=1S/C10H12N2O/c1-7-2-3-10-8(4-7)5-9(12-13)6-11-10/h5-7H,2-4H2,1H3
InChIKeyGMRQMFACDXANGP-UHFFFAOYSA-N
XLogP2.60
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline
CID 15462861
6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium
CID 176972001
2-methyl-1,2,3,4-tetrahydrobenzo[j]phenanthridine-7,12-dione
CID 90671759
(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine
CID 132548187
3-fluoro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 177053588
6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline
CID 126954756
6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 51371057
2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 116533824
3-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid
CID 91811788
3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 82113977
6,7-dichloro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 150751811
6-ethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 82112626

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline (CID 176972000) is 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline is CC1CCc2ncc(N=O)cc2C1.
What is the InChIKey of 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline?
The InChIKey is GMRQMFACDXANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-2-3-10-8(4-7)5-9(12-13)6-11-10/h5-7H,2-4H2,1H3.
What are the key properties of 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline?
6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline has a molecular weight of 176.22 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 176972000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).