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

C23H15N3O4 — CID 2966462

IUPAC2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile
SMILESC=CCN1C(=O)C2(C(C#N)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O
InChIInChI=1S/C23H15N3O4/c1-2-11-26-19-13-7-3-5-9-16(13)30-21(27)18(19)23(22(26)28)14-8-4-6-10-17(14)29-20(25)15(23)12-24/h2-10H,1,11,25H2
InChIKeyFPZSOSAMMYQIGD-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.70
Rot. Bonds2

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

2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile (PubChem CID 2966462) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile
PubChem CID2966462
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC Name2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile
SMILESC=CCN1C(=O)C2(C(C#N)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O
InChIInChI=1S/C23H15N3O4/c1-2-11-26-19-13-7-3-5-9-16(13)30-21(27)18(19)23(22(26)28)14-8-4-6-10-17(14)29-20(25)15(23)12-24/h2-10H,1,11,25H2
InChIKeyFPZSOSAMMYQIGD-UHFFFAOYSA-N
XLogP2.70
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile 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 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile?
The IUPAC name of 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile (CID 2966462) is 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile.
What is the SMILES notation for 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile?
The canonical SMILES for 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile is C=CCN1C(=O)C2(C(C#N)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O.
What is the InChIKey of 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile?
The InChIKey is FPZSOSAMMYQIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4/c1-2-11-26-19-13-7-3-5-9-16(13)30-21(27)18(19)23(22(26)28)14-8-4-6-10-17(14)29-20(25)15(23)12-24/h2-10H,1,11,25H2.
What are the key properties of 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile?
2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile has a molecular weight of 397.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2',4'-dioxo-1'-prop-2-enylspiro[chromene-4,3'-chromeno[4,3-b]pyrrole]-3-carbonitrile is sourced from PubChem (CID 2966462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).