ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate

C25H20N2O6 — CID 2969704

IUPACethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate
SMILESC=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O
InChIInChI=1S/C25H20N2O6/c1-3-13-27-20-14-9-5-7-11-16(14)33-23(29)18(20)25(24(27)30)15-10-6-8-12-17(15)32-21(26)19(25)22(28)31-4-2/h3,5-12H,1,4,13,26H2,2H3
InChIKeyCEAKLTKTWVZFQW-UHFFFAOYSA-N
MW444.44 g/mol
LogP2.74
Rot. Bonds4

About ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate

ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate (PubChem CID 2969704) has the molecular formula C25H20N2O6 and a molecular weight of 444.44 g/mol. Its IUPAC name is ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate
PubChem CID2969704
Molecular FormulaC25H20N2O6
Molecular Weight444.44 g/mol
Exact Mass444.13
IUPAC Nameethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate
SMILESC=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O
InChIInChI=1S/C25H20N2O6/c1-3-13-27-20-14-9-5-7-11-16(14)33-23(29)18(20)25(24(27)30)15-10-6-8-12-17(15)32-21(26)19(25)22(28)31-4-2/h3,5-12H,1,4,13,26H2,2H3
InChIKeyCEAKLTKTWVZFQW-UHFFFAOYSA-N
XLogP2.74
TPSA112.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate?
The IUPAC name of ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate (CID 2969704) is ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate?
The canonical SMILES for ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate is C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O.
What is the InChIKey of ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate?
The InChIKey is CEAKLTKTWVZFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O6/c1-3-13-27-20-14-9-5-7-11-16(14)33-23(29)18(20)25(24(27)30)15-10-6-8-12-17(15)32-21(26)19(25)22(28)31-4-2/h3,5-12H,1,4,13,26H2,2H3.
What are the key properties of ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate?
ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate has a molecular weight of 444.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carboxylate is sourced from PubChem (CID 2969704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).