3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline

C12H15N — CID 91082735

IUPAC3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline
SMILESC1=CCC2CC3CC=CC3N=C2C1
InChIInChI=1S/C12H15N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-3,7,9-10,12H,4-6,8H2
InChIKeyWUIQYZFSPMVYBV-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.74
Rot. Bonds

About 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline

3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline (PubChem CID 91082735) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline
PubChem CID91082735
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline
SMILESC1=CCC2CC3CC=CC3N=C2C1
InChIInChI=1S/C12H15N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-3,7,9-10,12H,4-6,8H2
InChIKeyWUIQYZFSPMVYBV-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
(4Z,9Z)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 11298264
3a,4,8,9,9a,9b-hexahydro-3H-pyrrolo[3,2-c]quinoline
CID 91047369
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
3,3a,4,5-tetrahydro-2H-indole
CID 53636670
6-Cyclohept-4-en-1-yl-2,3,4,5-tetrahydropyridine
CID 53724743
2,6-Dicyclopentyl-2,5-dihydropyridine
CID 53826435
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660

Frequently Asked Questions

What is the IUPAC name of 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline (CID 91082735) is 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline is C1=CCC2CC3CC=CC3N=C2C1.
What is the InChIKey of 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline?
The InChIKey is WUIQYZFSPMVYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-3,7,9-10,12H,4-6,8H2.
What are the key properties of 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline?
3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline has a molecular weight of 173.26 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,5,8,8a,9,9a-hexahydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 91082735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).