benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

C18H19NO3 — CID 121389945

IUPACbenzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCc1cc(C(=O)OCc2ccccc2)c2n(c1=O)CCC2
InChIInChI=1S/C18H19NO3/c1-2-14-11-15(16-9-6-10-19(16)17(14)20)18(21)22-12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3
InChIKeyZOGIICCPPHGCLE-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.71
Rot. Bonds4

About benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 121389945) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Namebenzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID121389945
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCc1cc(C(=O)OCc2ccccc2)c2n(c1=O)CCC2
InChIInChI=1S/C18H19NO3/c1-2-14-11-15(16-9-6-10-19(16)17(14)20)18(21)22-12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3
InChIKeyZOGIICCPPHGCLE-UHFFFAOYSA-N
XLogP2.71
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4Z)-4-benzylidene-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 5340272
ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275037
ethyl 6-[(3-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275039
benzyl N-butyl-N-[(5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)methyl]carbamate
CID 44142256
ethyl 6-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275040
benzyl (E)-3-(5-oxopyrrolidin-2-yl)prop-2-enoate
CID 13803382
benzyl N-[(5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)methyl]-N-prop-2-enylcarbamate
CID 44142254
benzyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10614116
Benzyl (S)-2-(tert-butyl)-4-methylene-5-oxooxazolidine-3-carboxylate
CID 11426269
1-Benzyl 3-ethyl 4-ethyl-2,5-dihydro-1H-pyrrole-1,3-dicarboxylate
CID 129030992
methyl (E)-4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]but-2-enoate
CID 22050351
Methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]but-2-enoate
CID 73861577

Frequently Asked Questions

What is the IUPAC name of benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 121389945) is benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is CCc1cc(C(=O)OCc2ccccc2)c2n(c1=O)CCC2.
What is the InChIKey of benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is ZOGIICCPPHGCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-14-11-15(16-9-6-10-19(16)17(14)20)18(21)22-12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3.
What are the key properties of benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-ethyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 121389945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).