6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C26H24N2O4 — CID 18869576

IUPAC6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C12C(=O)N(CCC)c1ccccc12
InChIInChI=1S/C26H24N2O4/c1-5-11-27-19-10-8-7-9-18(19)26(25(27)31)21-22(29)17-13-15(3)16(4)14-20(17)32-23(21)24(30)28(26)12-6-2/h6-10,13-14H,2,5,11-12H2,1,3-4H3
InChIKeyHHDSGRCZELCOQR-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.05
Rot. Bonds4

About 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869576) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18869576
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C12C(=O)N(CCC)c1ccccc12
InChIInChI=1S/C26H24N2O4/c1-5-11-27-19-10-8-7-9-18(19)26(25(27)31)21-22(29)17-13-15(3)16(4)14-20(17)32-23(21)24(30)28(26)12-6-2/h6-10,13-14H,2,5,11-12H2,1,3-4H3
InChIKeyHHDSGRCZELCOQR-UHFFFAOYSA-N
XLogP4.05
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.05
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 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869576) is 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[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(CCC)c1ccccc12.
What is the InChIKey of 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is HHDSGRCZELCOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-5-11-27-19-10-8-7-9-18(19)26(25(27)31)21-22(29)17-13-15(3)16(4)14-20(17)32-23(21)24(30)28(26)12-6-2/h6-10,13-14H,2,5,11-12H2,1,3-4H3.
What are the key properties of 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 428.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).