1-butan-2-ylazetidin-2-one

C7H13NO — CID 59510799

IUPAC1-butan-2-ylazetidin-2-one
SMILESCCC(C)N1CCC1=O
InChIInChI=1S/C7H13NO/c1-3-6(2)8-5-4-7(8)9/h6H,3-5H2,1-2H3
InChIKeyJPOVQDPAQIQQIV-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds2

About 1-butan-2-ylazetidin-2-one

1-butan-2-ylazetidin-2-one (PubChem CID 59510799) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-butan-2-ylazetidin-2-one.

Molecular Properties

Compound Name1-butan-2-ylazetidin-2-one
PubChem CID59510799
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-butan-2-ylazetidin-2-one
SMILESCCC(C)N1CCC1=O
InChIInChI=1S/C7H13NO/c1-3-6(2)8-5-4-7(8)9/h6H,3-5H2,1-2H3
InChIKeyJPOVQDPAQIQQIV-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butan-2-ylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylazetidin-2-one?
The IUPAC name of 1-butan-2-ylazetidin-2-one (CID 59510799) is 1-butan-2-ylazetidin-2-one.
What is the SMILES notation for 1-butan-2-ylazetidin-2-one?
The canonical SMILES for 1-butan-2-ylazetidin-2-one is CCC(C)N1CCC1=O.
What is the InChIKey of 1-butan-2-ylazetidin-2-one?
The InChIKey is JPOVQDPAQIQQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6(2)8-5-4-7(8)9/h6H,3-5H2,1-2H3.
What are the key properties of 1-butan-2-ylazetidin-2-one?
1-butan-2-ylazetidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylazetidin-2-one is sourced from PubChem (CID 59510799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).