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

C18H17N — CID 173177356

IUPAC8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCc1ccc(-c2cccc3[nH]c4c(c23)CCC4)cc1
InChIInChI=1S/C18H17N/c1-12-8-10-13(11-9-12)14-4-2-7-17-18(14)15-5-3-6-16(15)19-17/h2,4,7-11,19H,3,5-6H2,1H3
InChIKeyBFYGIYICEXJKKM-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.63
Rot. Bonds1

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

8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 173177356) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID173177356
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCc1ccc(-c2cccc3[nH]c4c(c23)CCC4)cc1
InChIInChI=1S/C18H17N/c1-12-8-10-13(11-9-12)14-4-2-7-17-18(14)15-5-3-6-16(15)19-17/h2,4,7-11,19H,3,5-6H2,1H3
InChIKeyBFYGIYICEXJKKM-UHFFFAOYSA-N
XLogP4.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 173177356) is 8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole is Cc1ccc(-c2cccc3[nH]c4c(c23)CCC4)cc1.
What is the InChIKey of 8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is BFYGIYICEXJKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-12-8-10-13(11-9-12)14-4-2-7-17-18(14)15-5-3-6-16(15)19-17/h2,4,7-11,19H,3,5-6H2,1H3.
What are the key properties of 8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 247.34 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 173177356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).