ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate

C15H17NO2 — CID 11470561

IUPACethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)9-10-7-12-11-5-3-4-6-13(11)16-14(12)8-10/h3-6,10,16H,2,7-9H2,1H3/t10-/m0/s1
InChIKeyQDOBDSJMEVKXIH-JTQLQIEISA-N
MW243.31 g/mol
LogP2.84
Rot. Bonds3

About ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate

ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate (PubChem CID 11470561) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
PubChem CID11470561
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)9-10-7-12-11-5-3-4-6-13(11)16-14(12)8-10/h3-6,10,16H,2,7-9H2,1H3/t10-/m0/s1
InChIKeyQDOBDSJMEVKXIH-JTQLQIEISA-N
XLogP2.84
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-(2-ethoxy-2-oxoethyl)-1-oxo-2,3,4,9-tetrahydrocarbazole-3-carboxylate
CID 156612660
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
ethyl 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate chloride
CID 21179161
(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 15573652
ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclobutane]-3-carboxylate
CID 138114395
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
[(2S,3R)-2-phenyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]methyl acetate
CID 135035621
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate
CID 3839231

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate (CID 11470561) is ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate is CCOC(=O)C[C@@H]1Cc2[nH]c3ccccc3c2C1.
What is the InChIKey of ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate?
The InChIKey is QDOBDSJMEVKXIH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-15(17)9-10-7-12-11-5-3-4-6-13(11)16-14(12)8-10/h3-6,10,16H,2,7-9H2,1H3/t10-/m0/s1.
What are the key properties of ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate?
ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate has a molecular weight of 243.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate is sourced from PubChem (CID 11470561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).