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

C10H17NO — CID 90992909

IUPAC5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium
SMILESC=C1CCCC2C1CCC[NH+]2[O-]
InChIInChI=1S/C10H17NO/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h9-11H,1-7H2
InChIKeyMDEOZVUJJOSOJU-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.89
Rot. Bonds

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

5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium (PubChem CID 90992909) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium.

Molecular Properties

Compound Name5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium
PubChem CID90992909
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium
SMILESC=C1CCCC2C1CCC[NH+]2[O-]
InChIInChI=1S/C10H17NO/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h9-11H,1-7H2
InChIKeyMDEOZVUJJOSOJU-UHFFFAOYSA-N
XLogP0.89
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Related Compounds

3,4,5,6,7,8,9,10-Octahydro-2-quinolone
CID 129800331
8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 91433918
6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 123237214
2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
CID 123548028
1-Oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
CID 18542553
(1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine
CID 88735479
1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine
CID 88735480
7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline
CID 90686018
5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinoline
CID 90972116
3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline
CID 91021708
4-ethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 91048229
3,7-Dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinoline
CID 91066963

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium?
The IUPAC name of 5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium (CID 90992909) is 5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium.
What is the SMILES notation for 5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium?
The canonical SMILES for 5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium is C=C1CCCC2C1CCC[NH+]2[O-].
What is the InChIKey of 5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium?
The InChIKey is MDEOZVUJJOSOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h9-11H,1-7H2.
What are the key properties of 5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium?
5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium has a molecular weight of 167.25 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-oxido-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-1-ium is sourced from PubChem (CID 90992909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).