1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione

C10H10N2O2 — CID 163822944

IUPAC1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione
SMILESCc1cc(C)cc(N2C(=O)NC2=O)c1
InChIInChI=1S/C10H10N2O2/c1-6-3-7(2)5-8(4-6)12-9(13)11-10(12)14/h3-5H,1-2H3,(H,11,13,14)
InChIKeyNWZIAWCTLJMYIS-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.95
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione

1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione (PubChem CID 163822944) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione
PubChem CID163822944
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione
SMILESCc1cc(C)cc(N2C(=O)NC2=O)c1
InChIInChI=1S/C10H10N2O2/c1-6-3-7(2)5-8(4-6)12-9(13)11-10(12)14/h3-5H,1-2H3,(H,11,13,14)
InChIKeyNWZIAWCTLJMYIS-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione (CID 163822944) is 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione is Cc1cc(C)cc(N2C(=O)NC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione?
The InChIKey is NWZIAWCTLJMYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-3-7(2)5-8(4-6)12-9(13)11-10(12)14/h3-5H,1-2H3,(H,11,13,14).
What are the key properties of 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione?
1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione has a molecular weight of 190.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione is sourced from PubChem (CID 163822944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).