3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline

C12H15N — CID 91174585

IUPAC3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline
SMILESC1=CCC2C(=NCC3C=CCC32)C1
InChIInChI=1S/C12H15N/c1-2-7-12-11(5-1)10-6-3-4-9(10)8-13-12/h1-4,9-11H,5-8H2
InChIKeyWEXDWTRIPVKBBH-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.60
Rot. Bonds

About 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline

3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline (PubChem CID 91174585) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline
PubChem CID91174585
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline
SMILESC1=CCC2C(=NCC3C=CCC32)C1
InChIInChI=1S/C12H15N/c1-2-7-12-11(5-1)10-6-3-4-9(10)8-13-12/h1-4,9-11H,5-8H2
InChIKeyWEXDWTRIPVKBBH-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
3a,4,8,9,9a,9b-hexahydro-3H-pyrrolo[3,2-c]quinoline
CID 91047369
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
5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole
CID 15920836
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
1,4,6,6a,10a,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 53805899
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660

Frequently Asked Questions

What is the IUPAC name of 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline?
The IUPAC name of 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline (CID 91174585) is 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline.
What is the SMILES notation for 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline?
The canonical SMILES for 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline is C1=CCC2C(=NCC3C=CCC32)C1.
What is the InChIKey of 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline?
The InChIKey is WEXDWTRIPVKBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-7-12-11(5-1)10-6-3-4-9(10)8-13-12/h1-4,9-11H,5-8H2.
What are the key properties of 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline?
3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline has a molecular weight of 173.26 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,6,9,9a,9b-hexahydro-1H-cyclopenta[c]quinoline is sourced from PubChem (CID 91174585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).