5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione

C13H12N2O3 — CID 70201313

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(c2ccc3c(c2)CCC3)C(=O)N1
InChIInChI=1S/C13H12N2O3/c16-11-10(12(17)15-13(18)14-11)9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2,(H2,14,15,16,17,18)
InChIKeyBTXOOUGMSOOQLR-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.62
Rot. Bonds1

About 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione

5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 70201313) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione
PubChem CID70201313
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(c2ccc3c(c2)CCC3)C(=O)N1
InChIInChI=1S/C13H12N2O3/c16-11-10(12(17)15-13(18)14-11)9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2,(H2,14,15,16,17,18)
InChIKeyBTXOOUGMSOOQLR-UHFFFAOYSA-N
XLogP0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione (CID 70201313) is 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(c2ccc3c(c2)CCC3)C(=O)N1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is BTXOOUGMSOOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-11-10(12(17)15-13(18)14-11)9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2,(H2,14,15,16,17,18).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione?
5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 244.25 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 70201313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).