ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate

C24H20N2O6 — CID 41075065

IUPACethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(C)c1ccc(C)cc12
InChIInChI=1S/C24H20N2O6/c1-4-30-21(27)18-20(25)32-19-13-7-5-6-8-16(13)31-22(28)17(19)24(18)14-11-12(2)9-10-15(14)26(3)23(24)29/h5-11H,4,25H2,1-3H3/t24-/m0/s1
InChIKeyCXGMZCMEADJRMJ-DEOSSOPVSA-N
MW432.43 g/mol
LogP2.49
Rot. Bonds2

About ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate

ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate (PubChem CID 41075065) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
PubChem CID41075065
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Nameethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(C)c1ccc(C)cc12
InChIInChI=1S/C24H20N2O6/c1-4-30-21(27)18-20(25)32-19-13-7-5-6-8-16(13)31-22(28)17(19)24(18)14-11-12(2)9-10-15(14)26(3)23(24)29/h5-11H,4,25H2,1-3H3/t24-/m0/s1
InChIKeyCXGMZCMEADJRMJ-DEOSSOPVSA-N
XLogP2.49
TPSA112.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate?
The IUPAC name of ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate (CID 41075065) is ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate.
What is the SMILES notation for ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate?
The canonical SMILES for ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate is CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(C)c1ccc(C)cc12.
What is the InChIKey of ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate?
The InChIKey is CXGMZCMEADJRMJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-4-30-21(27)18-20(25)32-19-13-7-5-6-8-16(13)31-22(28)17(19)24(18)14-11-12(2)9-10-15(14)26(3)23(24)29/h5-11H,4,25H2,1-3H3/t24-/m0/s1.
What are the key properties of ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate?
ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate has a molecular weight of 432.43 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-2'-amino-1,5-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate is sourced from PubChem (CID 41075065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).