2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole

C12H13N — CID 172623300

IUPAC2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
SMILESCc1cc2ccc3c(c2[nH]1)CCC3
InChIInChI=1S/C12H13N/c1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8/h5-7,13H,2-4H2,1H3
InChIKeyIQOTZEICOZZUHZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.97
Rot. Bonds

About 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole

2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole (PubChem CID 172623300) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole.

Molecular Properties

Compound Name2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
PubChem CID172623300
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
SMILESCc1cc2ccc3c(c2[nH]1)CCC3
InChIInChI=1S/C12H13N/c1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8/h5-7,13H,2-4H2,1H3
InChIKeyIQOTZEICOZZUHZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole?
The IUPAC name of 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole (CID 172623300) is 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole.
What is the SMILES notation for 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole?
The canonical SMILES for 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole is Cc1cc2ccc3c(c2[nH]1)CCC3.
What is the InChIKey of 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole?
The InChIKey is IQOTZEICOZZUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8/h5-7,13H,2-4H2,1H3.
What are the key properties of 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole?
2-methyl-1,6,7,8-tetrahydrocyclopenta[g]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 2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole is sourced from PubChem (CID 172623300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).