1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol

C11H21NO2 — CID 71385772

IUPAC1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol
SMILESCC1CC(O)C2CCCCC2[N+]1(C)[O-]
InChIInChI=1S/C11H21NO2/c1-8-7-11(13)9-5-3-4-6-10(9)12(8,2)14/h8-11,13H,3-7H2,1-2H3
InChIKeyNFUWXDVXHBVUJK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.64
Rot. Bonds

About 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol

1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol (PubChem CID 71385772) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol.

Molecular Properties

Compound Name1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol
PubChem CID71385772
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol
SMILESCC1CC(O)C2CCCCC2[N+]1(C)[O-]
InChIInChI=1S/C11H21NO2/c1-8-7-11(13)9-5-3-4-6-10(9)12(8,2)14/h8-11,13H,3-7H2,1-2H3
InChIKeyNFUWXDVXHBVUJK-UHFFFAOYSA-N
XLogP1.64
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(4aS,5R,8aS)-1,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-5-ol
CID 11023335
(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 7078488
2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
CID 82406500
(3S)-1,4-dimethyl-1-oxidopyrrolidin-1-ium-3-ol
CID 89166357
(1R,2R,8S,9R)-9-methylbicyclo[6.1.0]nonan-2-ol
CID 13110212
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
2-(3-hydroxycyclohexyl)cyclohexan-1-ol
CID 139824914
2-(2-hydroxy-4-methylcyclohexyl)-6-methylcyclohexan-1-ol
CID 139825110
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 98536249
(2R,6R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 91749092

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol?
The IUPAC name of 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol (CID 71385772) is 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol.
What is the SMILES notation for 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol?
The canonical SMILES for 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol is CC1CC(O)C2CCCCC2[N+]1(C)[O-].
What is the InChIKey of 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol?
The InChIKey is NFUWXDVXHBVUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-7-11(13)9-5-3-4-6-10(9)12(8,2)14/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol?
1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol has a molecular weight of 199.29 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-oxido-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-4-ol is sourced from PubChem (CID 71385772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).