3-hydroxy-4-propan-2-ylazetidin-2-one

C6H11NO2 — CID 22382241

IUPAC3-hydroxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)C1NC(=O)C1O
InChIInChI=1S/C6H11NO2/c1-3(2)4-5(8)6(9)7-4/h3-5,8H,1-2H3,(H,7,9)
InChIKeyQARPNAUSFRHRPT-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds1

About 3-hydroxy-4-propan-2-ylazetidin-2-one

3-hydroxy-4-propan-2-ylazetidin-2-one (PubChem CID 22382241) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-hydroxy-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-propan-2-ylazetidin-2-one
PubChem CID22382241
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-hydroxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)C1NC(=O)C1O
InChIInChI=1S/C6H11NO2/c1-3(2)4-5(8)6(9)7-4/h3-5,8H,1-2H3,(H,7,9)
InChIKeyQARPNAUSFRHRPT-UHFFFAOYSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-propan-2-ylazetidin-2-one?
The IUPAC name of 3-hydroxy-4-propan-2-ylazetidin-2-one (CID 22382241) is 3-hydroxy-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for 3-hydroxy-4-propan-2-ylazetidin-2-one?
The canonical SMILES for 3-hydroxy-4-propan-2-ylazetidin-2-one is CC(C)C1NC(=O)C1O.
What is the InChIKey of 3-hydroxy-4-propan-2-ylazetidin-2-one?
The InChIKey is QARPNAUSFRHRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3(2)4-5(8)6(9)7-4/h3-5,8H,1-2H3,(H,7,9).
What are the key properties of 3-hydroxy-4-propan-2-ylazetidin-2-one?
3-hydroxy-4-propan-2-ylazetidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propan-2-ylazetidin-2-one is sourced from PubChem (CID 22382241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).