7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

C12H15N — CID 84654717

IUPAC7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
SMILESCc1ccc2c(c1)C1CCCC1N2
InChIInChI=1S/C12H15N/c1-8-5-6-12-10(7-8)9-3-2-4-11(9)13-12/h5-7,9,11,13H,2-4H2,1H3
InChIKeyGISQTDCMVMCOLJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.06
Rot. Bonds

About 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole (PubChem CID 84654717) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole.

Molecular Properties

Compound Name7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
PubChem CID84654717
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
SMILESCc1ccc2c(c1)C1CCCC1N2
InChIInChI=1S/C12H15N/c1-8-5-6-12-10(7-8)9-3-2-4-11(9)13-12/h5-7,9,11,13H,2-4H2,1H3
InChIKeyGISQTDCMVMCOLJ-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 7007370
(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 71128959
7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84700609
(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine
CID 130909450
(9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indol-2-yl)-phenylmethanone
CID 76689500
[(5aR,10bR)-9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indol-2-yl]-phenylmethanone
CID 58159615
5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid
CID 15896268
4-[(3aS,4S,9bR)-8-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-4-yl]-3,5-dimethylbenzoic acid
CID 71767442
tert-butyl (5aR,10bS)-9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indole-2-carboxylate
CID 140575490
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 82372244
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole?
The IUPAC name of 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole (CID 84654717) is 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole.
What is the SMILES notation for 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole?
The canonical SMILES for 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole is Cc1ccc2c(c1)C1CCCC1N2.
What is the InChIKey of 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole?
The InChIKey is GISQTDCMVMCOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8-5-6-12-10(7-8)9-3-2-4-11(9)13-12/h5-7,9,11,13H,2-4H2,1H3.
What are the key properties of 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole?
7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole has a molecular weight of 173.26 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole is sourced from PubChem (CID 84654717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).