2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide

C12H20N2O2 — CID 116677922

IUPAC2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCOCC1)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-9(11-7-13-8-11)12(15)14-6-10-2-4-16-5-3-10/h10,13H,2-8H2,1H3,(H,14,15)
InChIKeyCCPMYHAPOMFPQX-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.45
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide

2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide (PubChem CID 116677922) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide
PubChem CID116677922
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCOCC1)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-9(11-7-13-8-11)12(15)14-6-10-2-4-16-5-3-10/h10,13H,2-8H2,1H3,(H,14,15)
InChIKeyCCPMYHAPOMFPQX-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide (CID 116677922) is 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide is CC(C(=O)NCC1CCOCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is CCPMYHAPOMFPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(11-7-13-8-11)12(15)14-6-10-2-4-16-5-3-10/h10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide?
2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 116677922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).