6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium

C10H13N2O+ — CID 176972001

IUPAC6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium
SMILESCC1CCc2[nH+]cc(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/p+1
InChIKeyGMRQMFACDXANGP-UHFFFAOYSA-O
MW177.23 g/mol
LogP2.02
Rot. Bonds1

About 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium

6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium (PubChem CID 176972001) has the molecular formula C10H13N2O+ and a molecular weight of 177.23 g/mol. Its IUPAC name is 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium.

Molecular Properties

Compound Name6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium
PubChem CID176972001
Molecular FormulaC10H13N2O+
Molecular Weight177.23 g/mol
Exact Mass177.10
IUPAC Name6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium
SMILESCC1CCc2[nH+]cc(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/p+1
InChIKeyGMRQMFACDXANGP-UHFFFAOYSA-O
XLogP2.02
TPSA43.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline
CID 176972000
6,7-dichloro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 150751811
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 145046662
3,5-dimethylcyclohept-2-en-1-one
CID 170694473
1,6-dimethyl-3-methylidenecycloheptene
CID 165016233
2-methyl-1,2,3,4-tetrahydrotetracene
CID 19962649
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 172615392
6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142035350
N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 143968743
(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine
CID 132548187
[(E)-(3-methylcyclopentylidene)amino]urea
CID 5380591
5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl chloride
CID 6485363

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium?
The IUPAC name of 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium (CID 176972001) is 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium.
What is the SMILES notation for 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium?
The canonical SMILES for 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium is CC1CCc2[nH+]cc(N=O)cc2C1.
What is the InChIKey of 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium?
The InChIKey is GMRQMFACDXANGP-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium?
6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium has a molecular weight of 177.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitroso-5,6,7,8-tetrahydroquinolin-1-ium is sourced from PubChem (CID 176972001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).