3,3-dimethylazetidin-2-one

C5H9NO — CID 544629

IUPAC3,3-dimethylazetidin-2-one
SMILESCC1(C)CNC1=O
InChIInChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)
InChIKeyDCAKVVTXKWWUGN-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.14
Rot. Bonds

About 3,3-dimethylazetidin-2-one

3,3-dimethylazetidin-2-one (PubChem CID 544629) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name3,3-dimethylazetidin-2-one
PubChem CID544629
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3,3-dimethylazetidin-2-one
SMILESCC1(C)CNC1=O
InChIInChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)
InChIKeyDCAKVVTXKWWUGN-UHFFFAOYSA-N
XLogP0.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylazetidin-2-one?
The IUPAC name of 3,3-dimethylazetidin-2-one (CID 544629) is 3,3-dimethylazetidin-2-one.
What is the SMILES notation for 3,3-dimethylazetidin-2-one?
The canonical SMILES for 3,3-dimethylazetidin-2-one is CC1(C)CNC1=O.
What is the InChIKey of 3,3-dimethylazetidin-2-one?
The InChIKey is DCAKVVTXKWWUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7).
What are the key properties of 3,3-dimethylazetidin-2-one?
3,3-dimethylazetidin-2-one has a molecular weight of 99.13 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylazetidin-2-one is sourced from PubChem (CID 544629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).