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

C10H17N — CID 91480965

IUPAC8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1CCCC2CCCNC12
InChIInChI=1S/C10H17N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h9-11H,1-7H2
InChIKeyLXODSTBIDFJGIP-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.09
Rot. Bonds

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

8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (PubChem CID 91480965) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.

Molecular Properties

Compound Name8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
PubChem CID91480965
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1CCCC2CCCNC12
InChIInChI=1S/C10H17N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h9-11H,1-7H2
InChIKeyLXODSTBIDFJGIP-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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Related Compounds

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CID 155174105
2-cyclopropylpiperidin-3-one
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2-cyclohexylpyrrolidin-3-one
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CID 115014602
2-chloro-3-methylidenepiperidine
CID 90875283
7-methyl-2-methylidenebicyclo[4.1.1]octane
CID 144638297
7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
CID 83887769
1-iodo-2-methylidenecyclopentane
CID 147335853
2-cyclopentylpyrrolidine
CID 4031549
2-azabicyclo[4.1.0]heptane;molecular hydrogen
CID 144713678
1-methylidene-2-(trifluoromethyl)cyclopentane
CID 18520883

Frequently Asked Questions

What is the IUPAC name of 8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The IUPAC name of 8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (CID 91480965) is 8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.
What is the SMILES notation for 8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The canonical SMILES for 8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is C=C1CCCC2CCCNC12.
What is the InChIKey of 8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The InChIKey is LXODSTBIDFJGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h9-11H,1-7H2.
What are the key properties of 8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
8-methylidene-2,3,4,4a,5,6,7,8a-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 8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is sourced from PubChem (CID 91480965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).