7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline

C11H18ClN — CID 91021797

IUPAC7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1C(Cl)CCC2CC(C)CNC12
InChIInChI=1S/C11H18ClN/c1-7-5-9-3-4-10(12)8(2)11(9)13-6-7/h7,9-11,13H,2-6H2,1H3
InChIKeyLZJZFNCXNTVKFH-UHFFFAOYSA-N
MW199.72 g/mol
LogP2.56
Rot. Bonds

About 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline

7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (PubChem CID 91021797) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.

Molecular Properties

Compound Name7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
PubChem CID91021797
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1C(Cl)CCC2CC(C)CNC12
InChIInChI=1S/C11H18ClN/c1-7-5-9-3-4-10(12)8(2)11(9)13-6-7/h7,9-11,13H,2-6H2,1H3
InChIKeyLZJZFNCXNTVKFH-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
CID 91268681
5-chloro-6-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
CID 91472447
6-(5-Chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine
CID 123489872
5-chloro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
CID 90749598
1-chloro-7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline
CID 90932315
4-ethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 91048229
2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 91129363
2-chloro-3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline
CID 91149320
2,4-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 91318042
2-chloro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
CID 123333246
7-Chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;ethane
CID 170974306
7-Chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 170974307

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The IUPAC name of 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (CID 91021797) is 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.
What is the SMILES notation for 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The canonical SMILES for 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is C=C1C(Cl)CCC2CC(C)CNC12.
What is the InChIKey of 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The InChIKey is LZJZFNCXNTVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN/c1-7-5-9-3-4-10(12)8(2)11(9)13-6-7/h7,9-11,13H,2-6H2,1H3.
What are the key properties of 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline has a molecular weight of 199.72 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is sourced from PubChem (CID 91021797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).