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

C10H17N — CID 91021708

IUPAC3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline
SMILESC=C1CNC2CCCCC2C1
InChIInChI=1S/C10H17N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h9-11H,1-7H2
InChIKeyMELPGFYQDOSDER-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.09
Rot. Bonds

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

3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline (PubChem CID 91021708) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline.

Molecular Properties

Compound Name3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline
PubChem CID91021708
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline
SMILESC=C1CNC2CCCCC2C1
InChIInChI=1S/C10H17N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h9-11H,1-7H2
InChIKeyMELPGFYQDOSDER-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline?
The IUPAC name of 3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline (CID 91021708) is 3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline.
What is the SMILES notation for 3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline?
The canonical SMILES for 3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline is C=C1CNC2CCCCC2C1.
What is the InChIKey of 3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline?
The InChIKey is MELPGFYQDOSDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h9-11H,1-7H2.
What are the key properties of 3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline?
3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline has a molecular weight of 151.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline is sourced from PubChem (CID 91021708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).