dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate

C21H17NO6 — CID 11291905

IUPACdimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[C@H]1c1ccccc1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H17NO6/c1-26-18(23)15-16(19(24)27-2)21(28-17(15)12-8-4-3-5-9-12)13-10-6-7-11-14(13)22-20(21)25/h3-11,17H,1-2H3,(H,22,25)/t17-,21+/m0/s1
InChIKeyZHMIPJFQZYXJQZ-LAUBAEHRSA-N
MW379.37 g/mol
LogP2.25
Rot. Bonds3

About dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate

dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate (PubChem CID 11291905) has the molecular formula C21H17NO6 and a molecular weight of 379.37 g/mol. Its IUPAC name is dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate
PubChem CID11291905
Molecular FormulaC21H17NO6
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Namedimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[C@H]1c1ccccc1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H17NO6/c1-26-18(23)15-16(19(24)27-2)21(28-17(15)12-8-4-3-5-9-12)13-10-6-7-11-14(13)22-20(21)25/h3-11,17H,1-2H3,(H,22,25)/t17-,21+/m0/s1
InChIKeyZHMIPJFQZYXJQZ-LAUBAEHRSA-N
XLogP2.25
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate with MolForge

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Related Compounds

tetramethyl 2-phenyl-2H-furan-3,4,5,5-tetracarboxylate
CID 12820172
dimethyl 1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 15566984
dimethyl (1R,8R)-1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 98487675
methyl 4'-(3-chloro-4-fluoroanilino)-2,5'-dioxospiro[1H-indole-3,2'-furan]-3'-carboxylate
CID 172994564
dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate
CID 177414225
dimethyl (1S,8S)-1-methylsulfanyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 10040793
dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate
CID 101093466
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 162648038
dimethyl (2R,5R)-2-(furan-2-yl)-2'-oxo-1'-prop-2-ynylspiro[2H-furan-5,3'-indole]-3,4-dicarboxylate
CID 11269779
dimethyl 8,12-dioxo-16-oxa-9-azatetracyclo[11.2.1.01,9.02,7]hexadeca-2,4,6,14-tetraene-14,15-dicarboxylate
CID 85224942
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349

Frequently Asked Questions

What is the IUPAC name of dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate?
The IUPAC name of dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate (CID 11291905) is dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate.
What is the SMILES notation for dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate?
The canonical SMILES for dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@]2(O[C@H]1c1ccccc1)C(=O)Nc1ccccc12.
What is the InChIKey of dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate?
The InChIKey is ZHMIPJFQZYXJQZ-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H17NO6/c1-26-18(23)15-16(19(24)27-2)21(28-17(15)12-8-4-3-5-9-12)13-10-6-7-11-14(13)22-20(21)25/h3-11,17H,1-2H3,(H,22,25)/t17-,21+/m0/s1.
What are the key properties of dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate?
dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate has a molecular weight of 379.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2'S,3R)-2-oxo-2'-phenylspiro[1H-indole-3,5'-2H-furan]-3',4'-dicarboxylate is sourced from PubChem (CID 11291905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).