ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate

C15H21NO3 — CID 139775501

IUPACethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate
SMILESCCCCc1c(C(=O)OCC)c(=O)cc2n1CCC2
InChIInChI=1S/C15H21NO3/c1-3-5-8-12-14(15(18)19-4-2)13(17)10-11-7-6-9-16(11)12/h10H,3-9H2,1-2H3
InChIKeyADSJKVCUZAHMAU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds5

About ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate

ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate (PubChem CID 139775501) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate
PubChem CID139775501
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate
SMILESCCCCc1c(C(=O)OCC)c(=O)cc2n1CCC2
InChIInChI=1S/C15H21NO3/c1-3-5-8-12-14(15(18)19-4-2)13(17)10-11-7-6-9-16(11)12/h10H,3-9H2,1-2H3
InChIKeyADSJKVCUZAHMAU-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate?
The IUPAC name of ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate (CID 139775501) is ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate.
What is the SMILES notation for ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate?
The canonical SMILES for ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate is CCCCc1c(C(=O)OCC)c(=O)cc2n1CCC2.
What is the InChIKey of ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate?
The InChIKey is ADSJKVCUZAHMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-5-8-12-14(15(18)19-4-2)13(17)10-11-7-6-9-16(11)12/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate?
ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate is sourced from PubChem (CID 139775501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).