2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C25H17N3O5 — CID 18867316

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)C2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2c1cc(C)on1
InChIInChI=1S/C25H17N3O5/c1-3-12-27-17-10-6-5-9-16(17)25(24(27)31)20-21(29)15-8-4-7-11-18(15)32-22(20)23(30)28(25)19-13-14(2)33-26-19/h3-11,13H,1,12H2,2H3
InChIKeyWARNDPAJIQOWON-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.53
Rot. Bonds3

About 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867316) has the molecular formula C25H17N3O5 and a molecular weight of 439.43 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18867316
Molecular FormulaC25H17N3O5
Molecular Weight439.43 g/mol
Exact Mass439.12
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)C2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2c1cc(C)on1
InChIInChI=1S/C25H17N3O5/c1-3-12-27-17-10-6-5-9-16(17)25(24(27)31)20-21(29)15-8-4-7-11-18(15)32-22(20)23(30)28(25)19-13-14(2)33-26-19/h3-11,13H,1,12H2,2H3
InChIKeyWARNDPAJIQOWON-UHFFFAOYSA-N
XLogP3.53
TPSA96.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867584
2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869630
1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867362
2-(6-chloro-1,3-benzothiazol-2-yl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868800
(1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 2239315
1'-[(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867542
(1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871103
1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868683
6,7-dimethyl-2-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869649
7-chloro-2-(6-methoxy-1,3-benzothiazol-2-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867815
6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869620
(1R)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 27316816

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867316) is 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is C=CCN1C(=O)C2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2c1cc(C)on1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is WARNDPAJIQOWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O5/c1-3-12-27-17-10-6-5-9-16(17)25(24(27)31)20-21(29)15-8-4-7-11-18(15)32-22(20)23(30)28(25)19-13-14(2)33-26-19/h3-11,13H,1,12H2,2H3.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 439.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).