3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline

C13H15N — CID 102386267

IUPAC3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline
SMILESCC12CCCC1=Cc1ccccc1N2
InChIInChI=1S/C13H15N/c1-13-8-4-6-11(13)9-10-5-2-3-7-12(10)14-13/h2-3,5,7,9,14H,4,6,8H2,1H3
InChIKeyGTQZDUYFBXHVSO-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.44
Rot. Bonds

About 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline

3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline (PubChem CID 102386267) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline.

Molecular Properties

Compound Name3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline
PubChem CID102386267
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline
SMILESCC12CCCC1=Cc1ccccc1N2
InChIInChI=1S/C13H15N/c1-13-8-4-6-11(13)9-10-5-2-3-7-12(10)14-13/h2-3,5,7,9,14H,4,6,8H2,1H3
InChIKeyGTQZDUYFBXHVSO-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline?
The IUPAC name of 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline (CID 102386267) is 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline.
What is the SMILES notation for 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline?
The canonical SMILES for 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline is CC12CCCC1=Cc1ccccc1N2.
What is the InChIKey of 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline?
The InChIKey is GTQZDUYFBXHVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-13-8-4-6-11(13)9-10-5-2-3-7-12(10)14-13/h2-3,5,7,9,14H,4,6,8H2,1H3.
What are the key properties of 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline?
3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline has a molecular weight of 185.27 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline is sourced from PubChem (CID 102386267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).