3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline

C12H15N — CID 123552988

IUPAC3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
SMILESC1=CC2=NC3CC=CC3CC2CC1
InChIInChI=1S/C12H15N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h2-3,5-6,9-10,12H,1,4,7-8H2
InChIKeyLOYQDKBWCPCEND-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.74
Rot. Bonds

About 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline

3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline (PubChem CID 123552988) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
PubChem CID123552988
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
SMILESC1=CC2=NC3CC=CC3CC2CC1
InChIInChI=1S/C12H15N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h2-3,5-6,9-10,12H,1,4,7-8H2
InChIKeyLOYQDKBWCPCEND-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'}

Analyze 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline with MolForge

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
3a,4,8,9,9a,9b-hexahydro-3H-pyrrolo[3,2-c]quinoline
CID 91047369
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 135042631
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
2,3,4,4a-Tetrahydroquinoline
CID 20394214
3,3a,4,5-tetrahydro-2H-indole
CID 53636670
6-Cyclohept-4-en-1-yl-2,3,4,5-tetrahydropyridine
CID 53724743
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660
3,3a,4,4a,8a,9-hexahydro-2H-benzo[f]indole
CID 54099942

Frequently Asked Questions

What is the IUPAC name of 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline?
The IUPAC name of 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline (CID 123552988) is 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline.
What is the SMILES notation for 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline?
The canonical SMILES for 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline is C1=CC2=NC3CC=CC3CC2CC1.
What is the InChIKey of 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline?
The InChIKey is LOYQDKBWCPCEND-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/h2-3,5-6,9-10,12H,1,4,7-8H2.
What are the key properties of 3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline?
3a,7,8,8a,9,9a-hexahydro-3H-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,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline is sourced from PubChem (CID 123552988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).