1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C24H20N2O4 — CID 18869537

IUPAC1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C24H20N2O4/c1-5-10-26-22(28)21-19(20(27)15-11-13(2)14(3)12-18(15)30-21)24(26)16-8-6-7-9-17(16)25(4)23(24)29/h5-9,11-12H,1,10H2,2-4H3
InChIKeyRIDAXDPDWJPRTF-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.27
Rot. Bonds2

About 1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869537) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18869537
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C24H20N2O4/c1-5-10-26-22(28)21-19(20(27)15-11-13(2)14(3)12-18(15)30-21)24(26)16-8-6-7-9-17(16)25(4)23(24)29/h5-9,11-12H,1,10H2,2-4H3
InChIKeyRIDAXDPDWJPRTF-UHFFFAOYSA-N
XLogP3.27
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.27
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',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869537) is 1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is C=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C12C(=O)N(C)c1ccccc12.
What is the InChIKey of 1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is RIDAXDPDWJPRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-5-10-26-22(28)21-19(20(27)15-11-13(2)14(3)12-18(15)30-21)24(26)16-8-6-7-9-17(16)25(4)23(24)29/h5-9,11-12H,1,10H2,2-4H3.
What are the key properties of 1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
1',6,7-trimethyl-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 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).