5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione

C13H13N3O4 — CID 623782

IUPAC5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione
SMILESCN1CCc2cc(C3(O)C(=O)NC(=O)NC3=O)ccc21
InChIInChI=1S/C13H13N3O4/c1-16-5-4-7-6-8(2-3-9(7)16)13(20)10(17)14-12(19)15-11(13)18/h2-3,6,20H,4-5H2,1H3,(H2,14,15,17,18,19)
InChIKeyIQGHSFQFIRLUMX-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.77
Rot. Bonds1

About 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione

5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 623782) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione
PubChem CID623782
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione
SMILESCN1CCc2cc(C3(O)C(=O)NC(=O)NC3=O)ccc21
InChIInChI=1S/C13H13N3O4/c1-16-5-4-7-6-8(2-3-9(7)16)13(20)10(17)14-12(19)15-11(13)18/h2-3,6,20H,4-5H2,1H3,(H2,14,15,17,18,19)
InChIKeyIQGHSFQFIRLUMX-UHFFFAOYSA-N
XLogP-0.77
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile
CID 116997148
5-(1-isocyanatocyclopropyl)-1-methyl-2,3-dihydroindole
CID 117305668
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
CID 142580555
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
CID 138389471
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopropyl]methanol
CID 116997101
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione (CID 623782) is 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione is CN1CCc2cc(C3(O)C(=O)NC(=O)NC3=O)ccc21.
What is the InChIKey of 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is IQGHSFQFIRLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-16-5-4-7-6-8(2-3-9(7)16)13(20)10(17)14-12(19)15-11(13)18/h2-3,6,20H,4-5H2,1H3,(H2,14,15,17,18,19).
What are the key properties of 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione?
5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 275.26 g/mol, XLogP of -0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 623782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).