4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one

C11H12N2O2 — CID 15371576

IUPAC4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one
SMILESCC1(C2CO2)NC(=O)N1c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-11(9-7-15-9)12-10(14)13(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,14)
InChIKeyNKLMDGMNKMLCQU-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.33
Rot. Bonds2

About 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one

4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one (PubChem CID 15371576) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one
PubChem CID15371576
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one
SMILESCC1(C2CO2)NC(=O)N1c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-11(9-7-15-9)12-10(14)13(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,14)
InChIKeyNKLMDGMNKMLCQU-UHFFFAOYSA-N
XLogP1.33
TPSA44.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one?
The IUPAC name of 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one (CID 15371576) is 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one.
What is the SMILES notation for 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one?
The canonical SMILES for 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one is CC1(C2CO2)NC(=O)N1c1ccccc1.
What is the InChIKey of 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one?
The InChIKey is NKLMDGMNKMLCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-11(9-7-15-9)12-10(14)13(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,14).
What are the key properties of 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one?
4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one is sourced from PubChem (CID 15371576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).