(1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C25H24N2O5 — CID 40871618

IUPAC(1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12C(=O)N(CC)c1ccccc12
InChIInChI=1S/C25H24N2O5/c1-3-26-18-12-7-6-11-17(18)25(24(26)30)20-21(28)16-10-5-8-13-19(16)32-22(20)23(29)27(25)14-9-15-31-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3/t25-/m1/s1
InChIKeyDCHOBOYSDRGLST-RUZDIDTESA-N
MW432.48 g/mol
LogP3.29
Rot. Bonds6

About (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 40871618) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID40871618
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name(1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12C(=O)N(CC)c1ccccc12
InChIInChI=1S/C25H24N2O5/c1-3-26-18-12-7-6-11-17(18)25(24(26)30)20-21(28)16-10-5-8-13-19(16)32-22(20)23(29)27(25)14-9-15-31-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3/t25-/m1/s1
InChIKeyDCHOBOYSDRGLST-RUZDIDTESA-N
XLogP3.29
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 40871618) is (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12C(=O)N(CC)c1ccccc12.
What is the InChIKey of (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is DCHOBOYSDRGLST-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N2O5/c1-3-26-18-12-7-6-11-17(18)25(24(26)30)20-21(28)16-10-5-8-13-19(16)32-22(20)23(29)27(25)14-9-15-31-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3/t25-/m1/s1.
What are the key properties of (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 432.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 40871618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).