azetidin-2-one;1-deuterio-2-phenylbenzene

C15H15NO — CID 174405166

IUPACazetidin-2-one;1-deuterio-2-phenylbenzene
SMILESO=C1CCN1.[2H]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10.C3H5NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;5-3-1-2-4-3/h1-10H;1-2H2,(H,4,5)/i7D;
InChIKeyLPYHGKRVJNCAFQ-DRGWXPQLSA-N
MW226.30 g/mol
LogP2.86
Rot. Bonds1

About azetidin-2-one;1-deuterio-2-phenylbenzene

azetidin-2-one;1-deuterio-2-phenylbenzene (PubChem CID 174405166) has the molecular formula C15H15NO and a molecular weight of 226.30 g/mol. Its IUPAC name is azetidin-2-one;1-deuterio-2-phenylbenzene.

Molecular Properties

Compound Nameazetidin-2-one;1-deuterio-2-phenylbenzene
PubChem CID174405166
Molecular FormulaC15H15NO
Molecular Weight226.30 g/mol
Exact Mass226.12
IUPAC Nameazetidin-2-one;1-deuterio-2-phenylbenzene
SMILESO=C1CCN1.[2H]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10.C3H5NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;5-3-1-2-4-3/h1-10H;1-2H2,(H,4,5)/i7D;
InChIKeyLPYHGKRVJNCAFQ-DRGWXPQLSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azetidin-2-one;1-deuterio-2-phenylbenzene?
The IUPAC name of azetidin-2-one;1-deuterio-2-phenylbenzene (CID 174405166) is azetidin-2-one;1-deuterio-2-phenylbenzene.
What is the SMILES notation for azetidin-2-one;1-deuterio-2-phenylbenzene?
The canonical SMILES for azetidin-2-one;1-deuterio-2-phenylbenzene is O=C1CCN1.[2H]c1ccccc1-c1ccccc1.
What is the InChIKey of azetidin-2-one;1-deuterio-2-phenylbenzene?
The InChIKey is LPYHGKRVJNCAFQ-DRGWXPQLSA-N. The full InChI is InChI=1S/C12H10.C3H5NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;5-3-1-2-4-3/h1-10H;1-2H2,(H,4,5)/i7D;.
What are the key properties of azetidin-2-one;1-deuterio-2-phenylbenzene?
azetidin-2-one;1-deuterio-2-phenylbenzene has a molecular weight of 226.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-one;1-deuterio-2-phenylbenzene is sourced from PubChem (CID 174405166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).