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

C15H17NO2 — CID 15063389

IUPACethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate
SMILESCCOC(=O)C1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)12-7-8-16-13(10-12)9-11-5-3-4-6-14(11)16/h3-6,9,12H,2,7-8,10H2,1H3
InChIKeyVBMGKNNNZFMWCP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.77
Rot. Bonds2

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

ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate (PubChem CID 15063389) 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-8-carboxylate.

Molecular Properties

Compound Nameethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate
PubChem CID15063389
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate
SMILESCCOC(=O)C1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)12-7-8-16-13(10-12)9-11-5-3-4-6-14(11)16/h3-6,9,12H,2,7-8,10H2,1H3
InChIKeyVBMGKNNNZFMWCP-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-7-carboxylate
CID 15063410
ethyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
CID 67807991
tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate
CID 15063418
ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
CID 3266236
ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
CID 8852975
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate
CID 151371573
ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
CID 30392998
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate?
The IUPAC name of ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate (CID 15063389) is ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate.
What is the SMILES notation for ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate?
The canonical SMILES for ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate is CCOC(=O)C1CCn2c(cc3ccccc32)C1.
What is the InChIKey of ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate?
The InChIKey is VBMGKNNNZFMWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-15(17)12-7-8-16-13(10-12)9-11-5-3-4-6-14(11)16/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-8-carboxylate?
ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-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-8-carboxylate is sourced from PubChem (CID 15063389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).