methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate

C17H17NO3 — CID 132536565

IUPACmethyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@](C)(c2ccccc2)c2cccn2C1=O
InChIInChI=1S/C17H17NO3/c1-17(12-7-4-3-5-8-12)11-13(16(20)21-2)15(19)18-10-6-9-14(17)18/h3-10,13H,11H2,1-2H3/t13-,17+/m1/s1
InChIKeyAQSLGMTYOXUPNQ-DYVFJYSZSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds2

About methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate

methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate (PubChem CID 132536565) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate
PubChem CID132536565
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@](C)(c2ccccc2)c2cccn2C1=O
InChIInChI=1S/C17H17NO3/c1-17(12-7-4-3-5-8-12)11-13(16(20)21-2)15(19)18-10-6-9-14(17)18/h3-10,13H,11H2,1-2H3/t13-,17+/m1/s1
InChIKeyAQSLGMTYOXUPNQ-DYVFJYSZSA-N
XLogP2.63
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 5-methyl-2-oxo-5-phenylcyclohexane-1-carboxylate
CID 15701403
methyl (6R,8S)-8-(4-bromophenyl)-5-oxo-7,8-dihydro-6H-indolizine-6-carboxylate
CID 132536563
methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate
CID 134918881
tetramethyl 3a-methyl-2,5-dioxo-6a-phenyl-1,3,4,6-tetrahydropentalene-1,3,4,6-tetracarboxylate
CID 10647641
methyl (5S)-2-oxo-5-phenyloxolane-3-carboxylate
CID 102111765
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
methyl 1-(2-methoxyphenyl)-3-oxo-1,2-dihydropyrrolizine-2-carboxylate
CID 102080373
cis-methyl (1S,5R)-5-cyano-2-oxo-5-phenylcyclohexane-1-carboxylate
CID 86312336
methyl (2S,3R)-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 102364670
methyl 2-oxo-3-phenylcyclopentane-1-carboxylate
CID 22173712
methyl 1-(4-hydroxyphenyl)-3-oxo-1,2-dihydropyrrolizine-2-carboxylate
CID 102080377
cis-methyl (1S,2S)-2-hydroxy-4,6-dioxo-2-phenylcyclohexane-1-carboxylate
CID 165341801

Frequently Asked Questions

What is the IUPAC name of methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate?
The IUPAC name of methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate (CID 132536565) is methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate.
What is the SMILES notation for methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate?
The canonical SMILES for methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate is COC(=O)[C@@H]1C[C@@](C)(c2ccccc2)c2cccn2C1=O.
What is the InChIKey of methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate?
The InChIKey is AQSLGMTYOXUPNQ-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(12-7-4-3-5-8-12)11-13(16(20)21-2)15(19)18-10-6-9-14(17)18/h3-10,13H,11H2,1-2H3/t13-,17+/m1/s1.
What are the key properties of methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate?
methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate is sourced from PubChem (CID 132536565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).