8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole

C19H19N — CID 91133251

IUPAC8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCc1ccc(-c2cccc3[nH]c4c(c23)CCC4)c(C)c1
InChIInChI=1S/C19H19N/c1-12-9-10-14(13(2)11-12)15-5-3-8-18-19(15)16-6-4-7-17(16)20-18/h3,5,8-11,20H,4,6-7H2,1-2H3
InChIKeyHMMISIKJOBAIGQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.94
Rot. Bonds1

About 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole

8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 91133251) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID91133251
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCc1ccc(-c2cccc3[nH]c4c(c23)CCC4)c(C)c1
InChIInChI=1S/C19H19N/c1-12-9-10-14(13(2)11-12)15-5-3-8-18-19(15)16-6-4-7-17(16)20-18/h3,5,8-11,20H,4,6-7H2,1-2H3
InChIKeyHMMISIKJOBAIGQ-UHFFFAOYSA-N
XLogP4.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 91133251) is 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole is Cc1ccc(-c2cccc3[nH]c4c(c23)CCC4)c(C)c1.
What is the InChIKey of 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is HMMISIKJOBAIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-12-9-10-14(13(2)11-12)15-5-3-8-18-19(15)16-6-4-7-17(16)20-18/h3,5,8-11,20H,4,6-7H2,1-2H3.
What are the key properties of 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 261.37 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 91133251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).