7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline

C10H17N — CID 90686018

IUPAC7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline
SMILESC=C1CCC2CCNCC2C1
InChIInChI=1S/C10H17N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h9-11H,1-7H2
InChIKeyJZYMCUXYHOXMOC-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.95
Rot. Bonds

About 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline

7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline (PubChem CID 90686018) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline
PubChem CID90686018
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline
SMILESC=C1CCC2CCNCC2C1
InChIInChI=1S/C10H17N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h9-11H,1-7H2
InChIKeyJZYMCUXYHOXMOC-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
CID 158507793
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
CID 82416611
5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole
CID 91292382
2,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridin-3-one
CID 105430139
(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole
CID 141370251
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
(4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one
CID 165083138

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline?
The IUPAC name of 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline (CID 90686018) is 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline.
What is the SMILES notation for 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline?
The canonical SMILES for 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline is C=C1CCC2CCNCC2C1.
What is the InChIKey of 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline?
The InChIKey is JZYMCUXYHOXMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h9-11H,1-7H2.
What are the key properties of 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline?
7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline has a molecular weight of 151.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline is sourced from PubChem (CID 90686018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).