2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide

C10H18N2O2 — CID 116678811

IUPAC2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCC(C(=O)NC(C)CCO)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-7(3-4-13)12-10(14)8(2)9-5-11-6-9/h7,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyGCLMIAYQIDUEBG-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.21
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide

2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide (PubChem CID 116678811) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide
PubChem CID116678811
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCC(C(=O)NC(C)CCO)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-7(3-4-13)12-10(14)8(2)9-5-11-6-9/h7,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyGCLMIAYQIDUEBG-UHFFFAOYSA-N
XLogP-0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.21
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-(4-hydroxybutan-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-(4-hydroxybutan-2-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide (CID 116678811) is 2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide is CC(C(=O)NC(C)CCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide?
The InChIKey is GCLMIAYQIDUEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(3-4-13)12-10(14)8(2)9-5-11-6-9/h7,11,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide?
2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide has a molecular weight of 198.27 g/mol, XLogP of -0.21, 4 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-(4-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 116678811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).