2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide

C13H22N2O3 — CID 114949226

IUPAC2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CC1(O)CCOCC1)=C1CNC1
InChIInChI=1S/C13H22N2O3/c1-10(11-7-14-8-11)12(16)15(2)9-13(17)3-5-18-6-4-13/h14,17H,3-9H2,1-2H3
InChIKeyYASTYGSYCYDJBX-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.09
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide

2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide (PubChem CID 114949226) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
PubChem CID114949226
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CC1(O)CCOCC1)=C1CNC1
InChIInChI=1S/C13H22N2O3/c1-10(11-7-14-8-11)12(16)15(2)9-13(17)3-5-18-6-4-13/h14,17H,3-9H2,1-2H3
InChIKeyYASTYGSYCYDJBX-UHFFFAOYSA-N
XLogP-0.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide (CID 114949226) is 2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide is CC(C(=O)N(C)CC1(O)CCOCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The InChIKey is YASTYGSYCYDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(11-7-14-8-11)12(16)15(2)9-13(17)3-5-18-6-4-13/h14,17H,3-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide has a molecular weight of 254.33 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 114949226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).