ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate

C15H15NO3 — CID 162407205

IUPACethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate
SMILESCCOC(=O)C1=CCn2c(cc3ccccc32)C1O
InChIInChI=1S/C15H15NO3/c1-2-19-15(18)11-7-8-16-12-6-4-3-5-10(12)9-13(16)14(11)17/h3-7,9,14,17H,2,8H2,1H3
InChIKeyBZKWHONOSCMTAC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.18
Rot. Bonds2

About ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate

ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate (PubChem CID 162407205) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate.

Molecular Properties

Compound Nameethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate
PubChem CID162407205
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate
SMILESCCOC(=O)C1=CCn2c(cc3ccccc32)C1O
InChIInChI=1S/C15H15NO3/c1-2-19-15(18)11-7-8-16-12-6-4-3-5-10(12)9-13(16)14(11)17/h3-7,9,14,17H,2,8H2,1H3
InChIKeyBZKWHONOSCMTAC-UHFFFAOYSA-N
XLogP2.18
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylate
CID 15063410
ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate
CID 15063389
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
ethyl 1-(difluoromethyl)indole-2-carboxylate
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ethyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
CID 67807991
ethyl 1-[(3,5-difluorophenyl)methyl]indole-2-carboxylate
CID 143638283
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate
CID 19820205
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
CID 139214163
ethyl 1-[(4S,5S)-5-carbamoyl-4-phenylpyrrolidin-2-yl]indole-2-carboxylate;hydrochloride
CID 118089045

Frequently Asked Questions

What is the IUPAC name of ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate?
The IUPAC name of ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate (CID 162407205) is ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate.
What is the SMILES notation for ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate?
The canonical SMILES for ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate is CCOC(=O)C1=CCn2c(cc3ccccc32)C1O.
What is the InChIKey of ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate?
The InChIKey is BZKWHONOSCMTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-19-15(18)11-7-8-16-12-6-4-3-5-10(12)9-13(16)14(11)17/h3-7,9,14,17H,2,8H2,1H3.
What are the key properties of ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate?
ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate is sourced from PubChem (CID 162407205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).