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

C23H33N — CID 91052066

IUPAC8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCC1(c2cccc3[nH]c4c(c23)CCC4)CCCCCCCCCC1
InChIInChI=1S/C23H33N/c1-23(16-8-6-4-2-3-5-7-9-17-23)19-13-11-15-21-22(19)18-12-10-14-20(18)24-21/h11,13,15,24H,2-10,12,14,16-17H2,1H3
InChIKeyQURVKTJFPNDXNQ-UHFFFAOYSA-N
MW323.52 g/mol
LogP6.83
Rot. Bonds1

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

8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 91052066) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is 8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID91052066
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCC1(c2cccc3[nH]c4c(c23)CCC4)CCCCCCCCCC1
InChIInChI=1S/C23H33N/c1-23(16-8-6-4-2-3-5-7-9-17-23)19-13-11-15-21-22(19)18-12-10-14-20(18)24-21/h11,13,15,24H,2-10,12,14,16-17H2,1H3
InChIKeyQURVKTJFPNDXNQ-UHFFFAOYSA-N
XLogP6.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 91052066) is 8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole is CC1(c2cccc3[nH]c4c(c23)CCC4)CCCCCCCCCC1.
What is the InChIKey of 8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is QURVKTJFPNDXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-23(16-8-6-4-2-3-5-7-9-17-23)19-13-11-15-21-22(19)18-12-10-14-20(18)24-21/h11,13,15,24H,2-10,12,14,16-17H2,1H3.
What are the key properties of 8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole?
8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 323.52 g/mol, XLogP of 6.83, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylcycloundecyl)-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 91052066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).