1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one

C16H20N2O2 — CID 1475551

IUPAC1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(c2ccc(N3CC(C)(C)C3=O)cc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-15(2)9-17(13(15)19)11-5-7-12(8-6-11)18-10-16(3,4)14(18)20/h5-8H,9-10H2,1-4H3
InChIKeyJCRNCKURICAPMX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds2

About 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one

1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one (PubChem CID 1475551) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one
PubChem CID1475551
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(c2ccc(N3CC(C)(C)C3=O)cc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-15(2)9-17(13(15)19)11-5-7-12(8-6-11)18-10-16(3,4)14(18)20/h5-8H,9-10H2,1-4H3
InChIKeyJCRNCKURICAPMX-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one?
The IUPAC name of 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one (CID 1475551) is 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one?
The canonical SMILES for 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one is CC1(C)CN(c2ccc(N3CC(C)(C)C3=O)cc2)C1=O.
What is the InChIKey of 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one?
The InChIKey is JCRNCKURICAPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(2)9-17(13(15)19)11-5-7-12(8-6-11)18-10-16(3,4)14(18)20/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one?
1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 1475551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).