methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate

C18H14N2O6 — CID 2961860

IUPACmethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C18H14N2O6/c1-8-7-11-12(16(22)25-8)18(13(14(19)26-11)15(21)24-2)9-5-3-4-6-10(9)20-17(18)23/h3-7H,19H2,1-2H3,(H,20,23)
InChIKeyLBFQZFQNBJQWCX-UHFFFAOYSA-N
MW354.32 g/mol
LogP0.92
Rot. Bonds1

About methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate

methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate (PubChem CID 2961860) has the molecular formula C18H14N2O6 and a molecular weight of 354.32 g/mol. Its IUPAC name is methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate
PubChem CID2961860
Molecular FormulaC18H14N2O6
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC Namemethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C18H14N2O6/c1-8-7-11-12(16(22)25-8)18(13(14(19)26-11)15(21)24-2)9-5-3-4-6-10(9)20-17(18)23/h3-7H,19H2,1-2H3,(H,20,23)
InChIKeyLBFQZFQNBJQWCX-UHFFFAOYSA-N
XLogP0.92
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate (CID 2961860) is methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate is COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)Nc1ccccc12.
What is the InChIKey of methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate?
The InChIKey is LBFQZFQNBJQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O6/c1-8-7-11-12(16(22)25-8)18(13(14(19)26-11)15(21)24-2)9-5-3-4-6-10(9)20-17(18)23/h3-7H,19H2,1-2H3,(H,20,23).
What are the key properties of methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate?
methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate has a molecular weight of 354.32 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate is sourced from PubChem (CID 2961860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).