ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate

C15H15NO2 — CID 57271487

IUPACethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate
SMILESCCOC(=O)C1=Cc2cc3ccccn3c2CC1
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)11-6-7-14-12(9-11)10-13-5-3-4-8-16(13)14/h3-5,8-10H,2,6-7H2,1H3
InChIKeyRLMODEHCGGKQGZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.83
Rot. Bonds2

About ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate

ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate (PubChem CID 57271487) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate
PubChem CID57271487
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate
SMILESCCOC(=O)C1=Cc2cc3ccccn3c2CC1
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)11-6-7-14-12(9-11)10-13-5-3-4-8-16(13)14/h3-5,8-10H,2,6-7H2,1H3
InChIKeyRLMODEHCGGKQGZ-UHFFFAOYSA-N
XLogP2.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
diethyl 1-acetyloxy-3,4-dihydropyrido[1,2-a]indole-2,3-dicarboxylate
CID 57266657
ethyl 2,3-dihydro-1-benzothiepine-4-carboxylate
CID 11481719
ethyl 1H-indene-2-carboxylate
CID 15378309
ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
ethyl 5,6-dihydroindolizine-7-carboxylate
CID 24972449
ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
CID 10638760
ethyl 3-[3-(dimethylamino)prop-2-enoyl]indolizine-2-carboxylate
CID 118581158
ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate
CID 171758357
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 2-methyl-3H-1-benzazepine-4-carboxylate
CID 16751993
ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
CID 165114067

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate?
The IUPAC name of ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate (CID 57271487) is ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate?
The canonical SMILES for ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate is CCOC(=O)C1=Cc2cc3ccccn3c2CC1.
What is the InChIKey of ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate?
The InChIKey is RLMODEHCGGKQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-18-15(17)11-6-7-14-12(9-11)10-13-5-3-4-8-16(13)14/h3-5,8-10H,2,6-7H2,1H3.
What are the key properties of ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate?
ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate is sourced from PubChem (CID 57271487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).