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

C13H15N — CID 89161688

IUPAC2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCCC1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H15N/c1-2-9-7-11-10-5-3-4-6-12(10)14-13(11)8-9/h3-6,9,14H,2,7-8H2,1H3
InChIKeyOBKBUBOAXLNTID-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.29
Rot. Bonds1

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

2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 89161688) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID89161688
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCCC1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H15N/c1-2-9-7-11-10-5-3-4-6-12(10)14-13(11)8-9/h3-6,9,14H,2,7-8H2,1H3
InChIKeyOBKBUBOAXLNTID-UHFFFAOYSA-N
XLogP3.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.29
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

ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
CID 11470561
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol
CID 13375506
3-methyl-4-propyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 177206921
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
CID 84581981
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 163459768

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 89161688) is 2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole is CCC1Cc2[nH]c3ccccc3c2C1.
What is the InChIKey of 2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is OBKBUBOAXLNTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-9-7-11-10-5-3-4-6-12(10)14-13(11)8-9/h3-6,9,14H,2,7-8H2,1H3.
What are the key properties of 2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 185.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 89161688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).