ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate

C11H14ClNO2 — CID 146496064

IUPACethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)cc2n1CCCC2
InChIInChI=1S/C11H14ClNO2/c1-2-15-11(14)10-9(12)7-8-5-3-4-6-13(8)10/h7H,2-6H2,1H3
InChIKeyMHEJKDKFLZVJAD-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.65
Rot. Bonds2

About ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate

ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate (PubChem CID 146496064) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate
PubChem CID146496064
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)cc2n1CCCC2
InChIInChI=1S/C11H14ClNO2/c1-2-15-11(14)10-9(12)7-8-5-3-4-6-13(8)10/h7H,2-6H2,1H3
InChIKeyMHEJKDKFLZVJAD-UHFFFAOYSA-N
XLogP2.65
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate
CID 122223917
ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate
CID 139775501
ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 129080208
1-(2-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
CID 6428845
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 125453739
ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 167560539
2-chloro-N-(3,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxamide
CID 146496283
ethyl 3,4,5-trichlorobenzoate
CID 14692896
3,5-dichloro-4-ethoxycarbonylbenzoic acid
CID 71062898
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 3-(2,2,2-trichloroacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 121390092
ethyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 591709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate?
The IUPAC name of ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate (CID 146496064) is ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate is CCOC(=O)c1c(Cl)cc2n1CCCC2.
What is the InChIKey of ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate?
The InChIKey is MHEJKDKFLZVJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-15-11(14)10-9(12)7-8-5-3-4-6-13(8)10/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate?
ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate has a molecular weight of 227.69 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate is sourced from PubChem (CID 146496064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).