(1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C25H22N2O5 — CID 40871103

IUPAC(1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCOC
InChIInChI=1S/C25H22N2O5/c1-4-11-26-18-8-6-5-7-17(18)25(24(26)30)20-21(28)16-14-15(2)9-10-19(16)32-22(20)23(29)27(25)12-13-31-3/h4-10,14H,1,11-13H2,2-3H3/t25-/m0/s1
InChIKeyRHRUEPJDNMFPBO-VWLOTQADSA-N
MW430.46 g/mol
LogP2.98
Rot. Bonds5

About (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 40871103) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID40871103
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name(1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCOC
InChIInChI=1S/C25H22N2O5/c1-4-11-26-18-8-6-5-7-17(18)25(24(26)30)20-21(28)16-14-15(2)9-10-19(16)32-22(20)23(29)27(25)12-13-31-3/h4-10,14H,1,11-13H2,2-3H3/t25-/m0/s1
InChIKeyRHRUEPJDNMFPBO-VWLOTQADSA-N
XLogP2.98
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 40871103) is (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is C=CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCOC.
What is the InChIKey of (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is RHRUEPJDNMFPBO-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-4-11-26-18-8-6-5-7-17(18)25(24(26)30)20-21(28)16-14-15(2)9-10-19(16)32-22(20)23(29)27(25)12-13-31-3/h4-10,14H,1,11-13H2,2-3H3/t25-/m0/s1.
What are the key properties of (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 430.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 40871103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).