2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide

C12H22N2O — CID 116678966

IUPAC2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide
SMILESCC(C(=O)NC(C)C(C)(C)C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-8(10-6-13-7-10)11(15)14-9(2)12(3,4)5/h9,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyAXLLYIMLWXBMBE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide

2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide (PubChem CID 116678966) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide
PubChem CID116678966
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide
SMILESCC(C(=O)NC(C)C(C)(C)C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-8(10-6-13-7-10)11(15)14-9(2)12(3,4)5/h9,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyAXLLYIMLWXBMBE-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)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-(3,3-dimethylbutan-2-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide (CID 116678966) is 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide is CC(C(=O)NC(C)C(C)(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide?
The InChIKey is AXLLYIMLWXBMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(10-6-13-7-10)11(15)14-9(2)12(3,4)5/h9,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide?
2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide is sourced from PubChem (CID 116678966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).