ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate

C22H22N2O5 — CID 2969544

IUPACethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate
SMILESC=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)C2=C1CCCC2=O
InChIInChI=1S/C22H22N2O5/c1-3-12-24-14-9-7-10-15(25)17(14)22(21(24)27)13-8-5-6-11-16(13)29-19(23)18(22)20(26)28-4-2/h3,5-6,8,11H,1,4,7,9-10,12,23H2,2H3
InChIKeyUSTVDMYIPPUUHS-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.09
Rot. Bonds4

About ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate

ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate (PubChem CID 2969544) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate
PubChem CID2969544
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Nameethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate
SMILESC=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)C2=C1CCCC2=O
InChIInChI=1S/C22H22N2O5/c1-3-12-24-14-9-7-10-15(25)17(14)22(21(24)27)13-8-5-6-11-16(13)29-19(23)18(22)20(26)28-4-2/h3,5-6,8,11H,1,4,7,9-10,12,23H2,2H3
InChIKeyUSTVDMYIPPUUHS-UHFFFAOYSA-N
XLogP2.09
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-((tetrahydrofuran-2-yl)methyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666516
methyl (2-amino-3-cyano-6',6'-dimethyl-2',4'-dioxo-4',5',6',7'-tetrahydrospiro[chromene-4,3'-indol]-1'(2'H)-yl)acetate
CID 2966409
Methyl 2-amino-1'-(2-methoxy-2-oxoethyl)-6',6'-dimethyl-2',4'-dioxo-1',2',4',5',6',7'-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
CID 2968928
ethyl 1'-allyl-2-amino-2',4'-dioxo-1',4'-dihydro-2'H-spiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate
CID 2969704
Tert-butyl 2-amino-6-bromo-6',6'-dimethyl-2',4'-dioxo-1',2',4',5',6',7'-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
CID 2969756
Methyl 2-amino-3-cyano-1'-(2-ethoxy-2-oxoethyl)-5'-methyl-2'-oxo-1',2'-dihydrospiro[chromene-4,3'-pyrrole]-4'-carboxylate
CID 2967365
Ethyl 2-amino-3-cyano-5'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-2'-oxo-1',2'-dihydrospiro[chromene-4,3'-pyrrole]-4'-carboxylate
CID 2969082
3-Ethyl 4'-methyl 2-amino-1',5'-bis(2-methoxy-2-oxoethyl)-2'-oxo-1',2'-dihydrospiro[chromene-4,3'-pyrrole]-3,4'-dicarboxylate
CID 2969426
4'-Ethyl 3-methyl 2-amino-5'-(2-ethoxy-2-oxoethyl)-2'-oxo-1',2'-dihydrospiro[chromene-4,3'-pyrrole]-3,4'-dicarboxylate
CID 2969922
ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate
CID 56658386
ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate
CID 56672244
1'-allyl-2-amino-2',4'-dioxo-1',4'-dihydro-2'H-spiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile
CID 2966462

Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate (CID 2969544) is ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate is C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)C2=C1CCCC2=O.
What is the InChIKey of ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate?
The InChIKey is USTVDMYIPPUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-3-12-24-14-9-7-10-15(25)17(14)22(21(24)27)13-8-5-6-11-16(13)29-19(23)18(22)20(26)28-4-2/h3,5-6,8,11H,1,4,7,9-10,12,23H2,2H3.
What are the key properties of ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate?
ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carboxylate is sourced from PubChem (CID 2969544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).