1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C24H20N2O4 — CID 18868683

IUPAC1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2C12C(=O)N(CC)c1ccccc12
InChIInChI=1S/C24H20N2O4/c1-4-12-26-22(28)21-19(20(27)15-13-14(3)10-11-18(15)30-21)24(26)16-8-6-7-9-17(16)25(5-2)23(24)29/h4,6-11,13H,1,5,12H2,2-3H3
InChIKeyQFXMPYOFBXLEBF-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.35
Rot. Bonds3

About 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868683) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18868683
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2C12C(=O)N(CC)c1ccccc12
InChIInChI=1S/C24H20N2O4/c1-4-12-26-22(28)21-19(20(27)15-13-14(3)10-11-18(15)30-21)24(26)16-8-6-7-9-17(16)25(5-2)23(24)29/h4,6-11,13H,1,5,12H2,2-3H3
InChIKeyQFXMPYOFBXLEBF-UHFFFAOYSA-N
XLogP3.35
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868683) is 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2C12C(=O)N(CC)c1ccccc12.
What is the InChIKey of 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is QFXMPYOFBXLEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-4-12-26-22(28)21-19(20(27)15-13-14(3)10-11-18(15)30-21)24(26)16-8-6-7-9-17(16)25(5-2)23(24)29/h4,6-11,13H,1,5,12H2,2-3H3.
What are the key properties of 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 400.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).