1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione

C14H15N3O3 — CID 11323270

IUPAC1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione
SMILESCN1CC2(C(=O)N(C)C1=O)c1ccccc1C(=O)N2C
InChIInChI=1S/C14H15N3O3/c1-15-8-14(12(19)16(2)13(15)20)10-7-5-4-6-9(10)11(18)17(14)3/h4-7H,8H2,1-3H3
InChIKeyLSDPOBGTCMDGEW-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.49
Rot. Bonds

About 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione

1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione (PubChem CID 11323270) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione.

Molecular Properties

Compound Name1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione
PubChem CID11323270
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione
SMILESCN1CC2(C(=O)N(C)C1=O)c1ccccc1C(=O)N2C
InChIInChI=1S/C14H15N3O3/c1-15-8-14(12(19)16(2)13(15)20)10-7-5-4-6-9(10)11(18)17(14)3/h4-7H,8H2,1-3H3
InChIKeyLSDPOBGTCMDGEW-UHFFFAOYSA-N
XLogP0.49
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione?
The IUPAC name of 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione (CID 11323270) is 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione.
What is the SMILES notation for 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione?
The canonical SMILES for 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione is CN1CC2(C(=O)N(C)C1=O)c1ccccc1C(=O)N2C.
What is the InChIKey of 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione?
The InChIKey is LSDPOBGTCMDGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-15-8-14(12(19)16(2)13(15)20)10-7-5-4-6-9(10)11(18)17(14)3/h4-7H,8H2,1-3H3.
What are the key properties of 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione?
1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione has a molecular weight of 273.29 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione is sourced from PubChem (CID 11323270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).