ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate

C15H17NO2 — CID 15063410

IUPACethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate
SMILESCCOC(=O)C1CCc2cc3ccccc3n2C1
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)12-7-8-13-9-11-5-3-4-6-14(11)16(13)10-12/h3-6,9,12H,2,7-8,10H2,1H3
InChIKeyHIUAZGLOMWYLMI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.77
Rot. Bonds2

About ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate

ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate (PubChem CID 15063410) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate
PubChem CID15063410
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate
SMILESCCOC(=O)C1CCc2cc3ccccc3n2C1
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)12-7-8-13-9-11-5-3-4-6-14(11)16(13)10-12/h3-6,9,12H,2,7-8,10H2,1H3
InChIKeyHIUAZGLOMWYLMI-UHFFFAOYSA-N
XLogP2.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate
CID 15063389
ethyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
CID 67807991
ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate
CID 10271142
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate
CID 84553269
ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate
CID 10271712
ethyl 4-oxocyclohexane-1-carboxylate;toluene
CID 174392547
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate
CID 20884665
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate?
The IUPAC name of ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate (CID 15063410) is ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate.
What is the SMILES notation for ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate?
The canonical SMILES for ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate is CCOC(=O)C1CCc2cc3ccccc3n2C1.
What is the InChIKey of ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate?
The InChIKey is HIUAZGLOMWYLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-15(17)12-7-8-13-9-11-5-3-4-6-14(11)16(13)10-12/h3-6,9,12H,2,7-8,10H2,1H3.
What are the key properties of ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate?
ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate is sourced from PubChem (CID 15063410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).