ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate

C21H22N2O5 — CID 2860287

IUPACethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C21H22N2O5/c1-4-27-18(25)16-17(22)28-14-10-20(2,3)9-13(24)15(14)21(16)11-7-5-6-8-12(11)23-19(21)26/h5-8H,4,9-10,22H2,1-3H3,(H,23,26)
InChIKeyHTPACFUSOPMHTM-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.28
Rot. Bonds2

About ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate

ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate (PubChem CID 2860287) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
PubChem CID2860287
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Nameethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C21H22N2O5/c1-4-27-18(25)16-17(22)28-14-10-20(2,3)9-13(24)15(14)21(16)11-7-5-6-8-12(11)23-19(21)26/h5-8H,4,9-10,22H2,1-3H3,(H,23,26)
InChIKeyHTPACFUSOPMHTM-UHFFFAOYSA-N
XLogP2.28
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate (CID 2860287) is ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate is CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate?
The InChIKey is HTPACFUSOPMHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-4-27-18(25)16-17(22)28-14-10-20(2,3)9-13(24)15(14)21(16)11-7-5-6-8-12(11)23-19(21)26/h5-8H,4,9-10,22H2,1-3H3,(H,23,26).
What are the key properties of ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate?
ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate is sourced from PubChem (CID 2860287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).