4-cyclopropyl-3,3-dimethylazetidin-2-one

C8H13NO — CID 54498497

IUPAC4-cyclopropyl-3,3-dimethylazetidin-2-one
SMILESCC1(C)C(=O)NC1C1CC1
InChIInChI=1S/C8H13NO/c1-8(2)6(5-3-4-5)9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyYAUJPRYRAHUFLA-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds1

About 4-cyclopropyl-3,3-dimethylazetidin-2-one

4-cyclopropyl-3,3-dimethylazetidin-2-one (PubChem CID 54498497) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-cyclopropyl-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-3,3-dimethylazetidin-2-one
PubChem CID54498497
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-cyclopropyl-3,3-dimethylazetidin-2-one
SMILESCC1(C)C(=O)NC1C1CC1
InChIInChI=1S/C8H13NO/c1-8(2)6(5-3-4-5)9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyYAUJPRYRAHUFLA-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3,3-dimethylazetidin-2-one?
The IUPAC name of 4-cyclopropyl-3,3-dimethylazetidin-2-one (CID 54498497) is 4-cyclopropyl-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 4-cyclopropyl-3,3-dimethylazetidin-2-one?
The canonical SMILES for 4-cyclopropyl-3,3-dimethylazetidin-2-one is CC1(C)C(=O)NC1C1CC1.
What is the InChIKey of 4-cyclopropyl-3,3-dimethylazetidin-2-one?
The InChIKey is YAUJPRYRAHUFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2)6(5-3-4-5)9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-cyclopropyl-3,3-dimethylazetidin-2-one?
4-cyclopropyl-3,3-dimethylazetidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 54498497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).