ethyl 6-methyl-2-propanoylindolizine-7-carboxylate

C15H17NO3 — CID 102279061

IUPACethyl 6-methyl-2-propanoylindolizine-7-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)CC)cn2cc1C
InChIInChI=1S/C15H17NO3/c1-4-14(17)11-6-12-7-13(15(18)19-5-2)10(3)8-16(12)9-11/h6-9H,4-5H2,1-3H3
InChIKeyMUCWFXCSKGMQEM-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.02
Rot. Bonds4

About ethyl 6-methyl-2-propanoylindolizine-7-carboxylate

ethyl 6-methyl-2-propanoylindolizine-7-carboxylate (PubChem CID 102279061) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 6-methyl-2-propanoylindolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-propanoylindolizine-7-carboxylate
PubChem CID102279061
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Nameethyl 6-methyl-2-propanoylindolizine-7-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)CC)cn2cc1C
InChIInChI=1S/C15H17NO3/c1-4-14(17)11-6-12-7-13(15(18)19-5-2)10(3)8-16(12)9-11/h6-9H,4-5H2,1-3H3
InChIKeyMUCWFXCSKGMQEM-UHFFFAOYSA-N
XLogP3.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate
CID 166064916
ethyl 6-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 76849693
CID 177359371
CID 177359371
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
ethyl 2,5-dibromo-4-propanoylbenzoate
CID 142541176
ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
CID 146473667
ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate
CID 67068234
ethyl 7-benzoylindolizine-2-carboxylate
CID 71386260
ethyl 3-iodo-5-propanoylbenzoate
CID 134641129
ethyl 3-ethoxy-5-propanoylbenzoate
CID 134642064
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 3-methylsulfanyl-5-propanoylbenzoate
CID 134641941

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-propanoylindolizine-7-carboxylate?
The IUPAC name of ethyl 6-methyl-2-propanoylindolizine-7-carboxylate (CID 102279061) is ethyl 6-methyl-2-propanoylindolizine-7-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-propanoylindolizine-7-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-propanoylindolizine-7-carboxylate is CCOC(=O)c1cc2cc(C(=O)CC)cn2cc1C.
What is the InChIKey of ethyl 6-methyl-2-propanoylindolizine-7-carboxylate?
The InChIKey is MUCWFXCSKGMQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-14(17)11-6-12-7-13(15(18)19-5-2)10(3)8-16(12)9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 6-methyl-2-propanoylindolizine-7-carboxylate?
ethyl 6-methyl-2-propanoylindolizine-7-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-propanoylindolizine-7-carboxylate is sourced from PubChem (CID 102279061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).