1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole

C22H33N — CID 173177063

IUPAC1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCCCCCCCCCCCC1CCc2[nH]c3ccccc3c21
InChIInChI=1S/C22H33N/c1-2-3-4-5-6-7-8-9-10-13-18-16-17-21-22(18)19-14-11-12-15-20(19)23-21/h11-12,14-15,18,23H,2-10,13,16-17H2,1H3
InChIKeyAIHXKOIYBGKMST-UHFFFAOYSA-N
MW311.51 g/mol
LogP7.12
Rot. Bonds10

About 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole

1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 173177063) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID173177063
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC Name1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCCCCCCCCCCCC1CCc2[nH]c3ccccc3c21
InChIInChI=1S/C22H33N/c1-2-3-4-5-6-7-8-9-10-13-18-16-17-21-22(18)19-14-11-12-15-20(19)23-21/h11-12,14-15,18,23H,2-10,13,16-17H2,1H3
InChIKeyAIHXKOIYBGKMST-UHFFFAOYSA-N
XLogP7.12
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173176510
N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
CID 3056093
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 9350450
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177006
(3R,4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 838888
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333308
3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one
CID 21234649
1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene
CID 71392483
4-hexyl-3,4-dihydro-2H-naphthalene-1-selone
CID 141438474

Frequently Asked Questions

What is the IUPAC name of 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 173177063) is 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole is CCCCCCCCCCCC1CCc2[nH]c3ccccc3c21.
What is the InChIKey of 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is AIHXKOIYBGKMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N/c1-2-3-4-5-6-7-8-9-10-13-18-16-17-21-22(18)19-14-11-12-15-20(19)23-21/h11-12,14-15,18,23H,2-10,13,16-17H2,1H3.
What are the key properties of 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 311.51 g/mol, XLogP of 7.12, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 173177063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).