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

C13H12N2O4 — CID 112597991

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCOc3ccccc32)C(=O)N1
InChIInChI=1S/C13H12N2O4/c16-11-7-12(17)15(13(18)14-11)9-5-6-19-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H,14,16,18)
InChIKeyHKZWRUQNQRBWJD-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.98
Rot. Bonds1

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

1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 112597991) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione
PubChem CID112597991
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCOc3ccccc32)C(=O)N1
InChIInChI=1S/C13H12N2O4/c16-11-7-12(17)15(13(18)14-11)9-5-6-19-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H,14,16,18)
InChIKeyHKZWRUQNQRBWJD-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
CID 113296325
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917
8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782396
1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968809
[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680441
5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110741036
3a,4,5,10b-tetrahydro-3H-[1]benzoxepino[4,5-d][1,3]oxazol-2-one
CID 70394255
1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115948392
S-[[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666116
methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692790
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
1-(3,4-dihydro-2H-chromen-4-yl)-N,4-dimethylpiperidin-4-amine
CID 115303934

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione (CID 112597991) is 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(C2CCOc3ccccc32)C(=O)N1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HKZWRUQNQRBWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-11-7-12(17)15(13(18)14-11)9-5-6-19-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H,14,16,18).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione?
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 260.25 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).