methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

C14H15NO5 — CID 10683917

IUPACmethyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)/C=C/c1cc(C(=O)OC)c2n(c1=O)CCC2
InChIInChI=1S/C14H15NO5/c1-19-12(16)6-5-9-8-10(14(18)20-2)11-4-3-7-15(11)13(9)17/h5-6,8H,3-4,7H2,1-2H3/b6-5+
InChIKeyVJXXTBOREHMDHA-AATRIKPKSA-N
MW277.28 g/mol
LogP0.77
Rot. Bonds3

About methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 10683917) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID10683917
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namemethyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)/C=C/c1cc(C(=O)OC)c2n(c1=O)CCC2
InChIInChI=1S/C14H15NO5/c1-19-12(16)6-5-9-8-10(14(18)20-2)11-4-3-7-15(11)13(9)17/h5-6,8H,3-4,7H2,1-2H3/b6-5+
InChIKeyVJXXTBOREHMDHA-AATRIKPKSA-N
XLogP0.77
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate with MolForge

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Related Compounds

methyl 3-oxaldehydoyloxy-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 156697134
methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 122164337
methyl 6-(4-nitroanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 34179084
methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 71734042
ethane;methyl 6-[(2-bromophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 145302341
methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 71733849
methyl 3-[(2-bromophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 129080218
methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate
CID 24814270
methyl 5-cyano-2-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate
CID 23076856
methyl 3-[2-[(4-methyloxan-4-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 164801012
methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 118139533
methyl 3-[(but-2-ynoylamino)methyl]-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 146108384

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 10683917) is methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is COC(=O)/C=C/c1cc(C(=O)OC)c2n(c1=O)CCC2.
What is the InChIKey of methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is VJXXTBOREHMDHA-AATRIKPKSA-N. The full InChI is InChI=1S/C14H15NO5/c1-19-12(16)6-5-9-8-10(14(18)20-2)11-4-3-7-15(11)13(9)17/h5-6,8H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 10683917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).