1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole

C16H21N — CID 173176510

IUPAC1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCCCC(C)C1CCc2[nH]c3ccccc3c21
InChIInChI=1S/C16H21N/c1-3-6-11(2)12-9-10-15-16(12)13-7-4-5-8-14(13)17-15/h4-5,7-8,11-12,17H,3,6,9-10H2,1-2H3
InChIKeyQAUXAUMGBQERQH-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.63
Rot. Bonds3

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

1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 173176510) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID173176510
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCCCC(C)C1CCc2[nH]c3ccccc3c21
InChIInChI=1S/C16H21N/c1-3-6-11(2)12-9-10-15-16(12)13-7-4-5-8-14(13)17-15/h4-5,7-8,11-12,17H,3,6,9-10H2,1-2H3
InChIKeyQAUXAUMGBQERQH-UHFFFAOYSA-N
XLogP4.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177063
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177006
(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 9350450
(3R,4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 838888
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
1-ethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid
CID 130233348
N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333308
N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
CID 3056093
N-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)propanamide
CID 10824090
16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
CID 163002483
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333391

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 173176510) is 1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole is CCCC(C)C1CCc2[nH]c3ccccc3c21.
What is the InChIKey of 1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is QAUXAUMGBQERQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-6-11(2)12-9-10-15-16(12)13-7-4-5-8-14(13)17-15/h4-5,7-8,11-12,17H,3,6,9-10H2,1-2H3.
What are the key properties of 1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole?
1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 227.35 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 173176510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).