7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole

C12H13N — CID 4770206

IUPAC7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C12H13N/c1-8-5-6-12-10(7-8)9-3-2-4-11(9)13-12/h5-7,13H,2-4H2,1H3
InChIKeyXSPVKGRMUCWWSM-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.97
Rot. Bonds

About 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole

7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 4770206) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID4770206
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C12H13N/c1-8-5-6-12-10(7-8)9-3-2-4-11(9)13-12/h5-7,13H,2-4H2,1H3
InChIKeyXSPVKGRMUCWWSM-UHFFFAOYSA-N
XLogP2.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 7-methyl-1,2,3,4-tetrahydrocyclopenta[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

ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 142960260
8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462487
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 19807228
9-(2,4-dimethylphenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 23528976
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
6-methyl-2,3,4,9-tetrahydropyrano[2,3-b]indole
CID 172623216
6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene
CID 153392437
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 66612137
2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117330639
N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide
CID 141242413
2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-ol
CID 2874344

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 4770206) is 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole is Cc1ccc2[nH]c3c(c2c1)CCC3.
What is the InChIKey of 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is XSPVKGRMUCWWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-5-6-12-10(7-8)9-3-2-4-11(9)13-12/h5-7,13H,2-4H2,1H3.
What are the key properties of 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 171.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 4770206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).