2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide

C12H20N2O2 — CID 114629629

IUPAC2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC(C(=O)NC1CC(O)C1(C)C)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-7(8-5-13-6-8)11(16)14-9-4-10(15)12(9,2)3/h9-10,13,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyUVKXCJOODOFJJN-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.18
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide

2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (PubChem CID 114629629) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
PubChem CID114629629
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC(C(=O)NC1CC(O)C1(C)C)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-7(8-5-13-6-8)11(16)14-9-4-10(15)12(9,2)3/h9-10,13,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyUVKXCJOODOFJJN-UHFFFAOYSA-N
XLogP0.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide 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 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (CID 114629629) is 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is CC(C(=O)NC1CC(O)C1(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The InChIKey is UVKXCJOODOFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(8-5-13-6-8)11(16)14-9-4-10(15)12(9,2)3/h9-10,13,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is sourced from PubChem (CID 114629629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).