2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline

C12H13N — CID 66841971

IUPAC2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline
SMILESc1ccc2c(c1)=NCC1CCCC=21
InChIInChI=1S/C12H13N/c1-2-7-12-11(5-1)10-6-3-4-9(10)8-13-12/h1-2,5,7,9H,3-4,6,8H2
InChIKeyDKILZFIYTVGYAF-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.27
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline

2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline (PubChem CID 66841971) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline
PubChem CID66841971
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline
SMILESc1ccc2c(c1)=NCC1CCCC=21
InChIInChI=1S/C12H13N/c1-2-7-12-11(5-1)10-6-3-4-9(10)8-13-12/h1-2,5,7,9H,3-4,6,8H2
InChIKeyDKILZFIYTVGYAF-UHFFFAOYSA-N
XLogP1.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline (CID 66841971) is 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline is c1ccc2c(c1)=NCC1CCCC=21.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline?
The InChIKey is DKILZFIYTVGYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-2-7-12-11(5-1)10-6-3-4-9(10)8-13-12/h1-2,5,7,9H,3-4,6,8H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline?
2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline has a molecular weight of 171.24 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinoline is sourced from PubChem (CID 66841971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).