methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate

C18H16N2O5 — CID 2859937

IUPACmethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
SMILESCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C18H16N2O5/c1-24-16(22)14-15(19)25-12-8-4-7-11(21)13(12)18(14)9-5-2-3-6-10(9)20-17(18)23/h2-3,5-6H,4,7-8,19H2,1H3,(H,20,23)
InChIKeySJRYUDCNKQFBIA-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.26
Rot. Bonds1

About methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate

methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate (PubChem CID 2859937) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
PubChem CID2859937
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Namemethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
SMILESCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C18H16N2O5/c1-24-16(22)14-15(19)25-12-8-4-7-11(21)13(12)18(14)9-5-2-3-6-10(9)20-17(18)23/h2-3,5-6H,4,7-8,19H2,1H3,(H,20,23)
InChIKeySJRYUDCNKQFBIA-UHFFFAOYSA-N
XLogP1.26
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate (CID 2859937) is methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate is COC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12.
What is the InChIKey of methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
The InChIKey is SJRYUDCNKQFBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-24-16(22)14-15(19)25-12-8-4-7-11(21)13(12)18(14)9-5-2-3-6-10(9)20-17(18)23/h2-3,5-6H,4,7-8,19H2,1H3,(H,20,23).
What are the key properties of methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate is sourced from PubChem (CID 2859937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).