1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one

C7H13NO2 — CID 130127852

IUPAC1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(CCO)C1=O
InChIInChI=1S/C7H13NO2/c1-7(2)5-8(3-4-9)6(7)10/h9H,3-5H2,1-2H3
InChIKeyWCCQGPYOSOCXQC-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.15
Rot. Bonds2

About 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one

1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one (PubChem CID 130127852) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one
PubChem CID130127852
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(CCO)C1=O
InChIInChI=1S/C7H13NO2/c1-7(2)5-8(3-4-9)6(7)10/h9H,3-5H2,1-2H3
InChIKeyWCCQGPYOSOCXQC-UHFFFAOYSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one (CID 130127852) is 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one is CC1(C)CN(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one?
The InChIKey is WCCQGPYOSOCXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)5-8(3-4-9)6(7)10/h9H,3-5H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one?
1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 130127852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).