1,3,3,4,4-pentamethylazetidin-2-one

C8H15NO — CID 13120090

IUPAC1,3,3,4,4-pentamethylazetidin-2-one
SMILESCN1C(=O)C(C)(C)C1(C)C
InChIInChI=1S/C8H15NO/c1-7(2)6(10)9(5)8(7,3)4/h1-5H3
InChIKeyQVAJXXQDKGMPAS-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds

About 1,3,3,4,4-pentamethylazetidin-2-one

1,3,3,4,4-pentamethylazetidin-2-one (PubChem CID 13120090) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1,3,3,4,4-pentamethylazetidin-2-one.

Molecular Properties

Compound Name1,3,3,4,4-pentamethylazetidin-2-one
PubChem CID13120090
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1,3,3,4,4-pentamethylazetidin-2-one
SMILESCN1C(=O)C(C)(C)C1(C)C
InChIInChI=1S/C8H15NO/c1-7(2)6(10)9(5)8(7,3)4/h1-5H3
InChIKeyQVAJXXQDKGMPAS-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,3,4,4-pentamethylazetidin-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 1,3,3,4,4-pentamethylazetidin-2-one?
The IUPAC name of 1,3,3,4,4-pentamethylazetidin-2-one (CID 13120090) is 1,3,3,4,4-pentamethylazetidin-2-one.
What is the SMILES notation for 1,3,3,4,4-pentamethylazetidin-2-one?
The canonical SMILES for 1,3,3,4,4-pentamethylazetidin-2-one is CN1C(=O)C(C)(C)C1(C)C.
What is the InChIKey of 1,3,3,4,4-pentamethylazetidin-2-one?
The InChIKey is QVAJXXQDKGMPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)6(10)9(5)8(7,3)4/h1-5H3.
What are the key properties of 1,3,3,4,4-pentamethylazetidin-2-one?
1,3,3,4,4-pentamethylazetidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentamethylazetidin-2-one is sourced from PubChem (CID 13120090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).