4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole

C13H17N — CID 58308970

IUPAC4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCc1ccc2c(c1)C1CCCC1N2C
InChIInChI=1S/C13H17N/c1-9-6-7-13-11(8-9)10-4-3-5-12(10)14(13)2/h6-8,10,12H,3-5H2,1-2H3
InChIKeyHQSROIXLHXVNPV-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.08
Rot. Bonds

About 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole

4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (PubChem CID 58308970) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
PubChem CID58308970
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCc1ccc2c(c1)C1CCCC1N2C
InChIInChI=1S/C13H17N/c1-9-6-7-13-11(8-9)10-4-3-5-12(10)14(13)2/h6-8,10,12H,3-5H2,1-2H3
InChIKeyHQSROIXLHXVNPV-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole with MolForge

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

Launch Full Analysis

Related Compounds

Dicarbine
CID 65684
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
1-Methyl-2,3-dihydro-1H-indole
CID 55830
Stobadine
CID 108089
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291
(4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 1426586
1,2-Dimethylindoline
CID 583485
5-Methylindoline
CID 14023679
3,3,5-Trimethylindoline
CID 15399353
2,8-Dimethyl-5-((E)-styryl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224880
1,2,3,3-Tetramethylindoline
CID 594839

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The IUPAC name of 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (CID 58308970) is 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The canonical SMILES for 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is Cc1ccc2c(c1)C1CCCC1N2C.
What is the InChIKey of 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The InChIKey is HQSROIXLHXVNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-6-7-13-11(8-9)10-4-3-5-12(10)14(13)2/h6-8,10,12H,3-5H2,1-2H3.
What are the key properties of 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole has a molecular weight of 187.29 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 58308970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).