ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate

C15H21NO3 — CID 11086602

IUPACethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate
SMILESCCCCc1ccc2n1[C@H](C(=O)OCC)CCC2=O
InChIInChI=1S/C15H21NO3/c1-3-5-6-11-7-8-12-14(17)10-9-13(16(11)12)15(18)19-4-2/h7-8,13H,3-6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyIQNVHKZEOVHMAP-ZDUSSCGKSA-N
MW263.34 g/mol
LogP2.91
Rot. Bonds5

About ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate

ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate (PubChem CID 11086602) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate.

Molecular Properties

Compound Nameethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate
PubChem CID11086602
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate
SMILESCCCCc1ccc2n1[C@H](C(=O)OCC)CCC2=O
InChIInChI=1S/C15H21NO3/c1-3-5-6-11-7-8-12-14(17)10-9-13(16(11)12)15(18)19-4-2/h7-8,13H,3-6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyIQNVHKZEOVHMAP-ZDUSSCGKSA-N
XLogP2.91
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate?
The IUPAC name of ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate (CID 11086602) is ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate.
What is the SMILES notation for ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate?
The canonical SMILES for ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate is CCCCc1ccc2n1[C@H](C(=O)OCC)CCC2=O.
What is the InChIKey of ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate?
The InChIKey is IQNVHKZEOVHMAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-5-6-11-7-8-12-14(17)10-9-13(16(11)12)15(18)19-4-2/h7-8,13H,3-6,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate?
ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S)-3-butyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate is sourced from PubChem (CID 11086602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).