1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline

C12H17N — CID 91441956

IUPAC1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline
SMILESC1=CC2CCCC3=NCCCC32C1
InChIInChI=1S/C12H17N/c1-4-10-5-2-7-12(10)8-3-9-13-11(12)6-1/h2,5,10H,1,3-4,6-9H2
InChIKeyMTFUKBVNVTWVOX-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.97
Rot. Bonds

About 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline

1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline (PubChem CID 91441956) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline.

Molecular Properties

Compound Name1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline
PubChem CID91441956
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline
SMILESC1=CC2CCCC3=NCCCC32C1
InChIInChI=1S/C12H17N/c1-4-10-5-2-7-12(10)8-3-9-13-11(12)6-1/h2,5,10H,1,3-4,6-9H2
InChIKeyMTFUKBVNVTWVOX-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.97
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,5,5a,9a,10-Octahydrobenzo[g]quinoline
CID 54082294
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole
CID 15920836
1,2,3,5,6,6a,10a,10b-Octahydrobenzo[f]quinoline
CID 53959657
(4aS,5aR)-2,3,4,4a,5,5a,9a,10-octahydrobenzo[g]quinoline
CID 54082293
3,3a,4,4a,8a,9-hexahydro-2H-benzo[f]indole
CID 54099942
7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
CID 57030181
2,4,5,5a,9a,9b-hexahydro-1H-benzo[e]indole
CID 57068399
3a,4,6,9,9a,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
CID 57290287
(9aS,9bR,11aR)-11a-methyl-5,5a,6,7,8,9,9a,9b,10,11-decahydrocyclopenta[c]phenanthridine
CID 70587683

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline?
The IUPAC name of 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline (CID 91441956) is 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline.
What is the SMILES notation for 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline?
The canonical SMILES for 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline is C1=CC2CCCC3=NCCCC32C1.
What is the InChIKey of 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline?
The InChIKey is MTFUKBVNVTWVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10-5-2-7-12(10)8-3-9-13-11(12)6-1/h2,5,10H,1,3-4,6-9H2.
What are the key properties of 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline?
1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline has a molecular weight of 175.28 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,7a,10-octahydrocyclopenta[e]quinoline is sourced from PubChem (CID 91441956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).