5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

C15H13N3O3 — CID 2869169

IUPAC5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H13N3O3/c1-2-18-8-9(10-5-3-4-6-12(10)18)7-11-13(19)16-15(21)17-14(11)20/h3-8H,2H2,1H3,(H2,16,17,19,20,21)
InChIKeyRTVGNWMMDLQQGJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.41
Rot. Bonds2

About 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2869169) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2869169
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H13N3O3/c1-2-18-8-9(10-5-3-4-6-12(10)18)7-11-13(19)16-15(21)17-14(11)20/h3-8H,2H2,1H3,(H2,16,17,19,20,21)
InChIKeyRTVGNWMMDLQQGJ-UHFFFAOYSA-N
XLogP1.41
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione (CID 2869169) is 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione is CCn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21.
What is the InChIKey of 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is RTVGNWMMDLQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-18-8-9(10-5-3-4-6-12(10)18)7-11-13(19)16-15(21)17-14(11)20/h3-8H,2H2,1H3,(H2,16,17,19,20,21).
What are the key properties of 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione?
5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 283.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2869169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).