2-(1-formylazetidin-3-yl)oxy-N-methylacetamide

C7H12N2O3 — CID 87282738

IUPAC2-(1-formylazetidin-3-yl)oxy-N-methylacetamide
SMILESCNC(=O)COC1CN(C=O)C1
InChIInChI=1S/C7H12N2O3/c1-8-7(11)4-12-6-2-9(3-6)5-10/h5-6H,2-4H2,1H3,(H,8,11)
InChIKeyZGMOZTPNDZKKLM-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.41
Rot. Bonds4

About 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide

2-(1-formylazetidin-3-yl)oxy-N-methylacetamide (PubChem CID 87282738) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1-formylazetidin-3-yl)oxy-N-methylacetamide
PubChem CID87282738
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-(1-formylazetidin-3-yl)oxy-N-methylacetamide
SMILESCNC(=O)COC1CN(C=O)C1
InChIInChI=1S/C7H12N2O3/c1-8-7(11)4-12-6-2-9(3-6)5-10/h5-6H,2-4H2,1H3,(H,8,11)
InChIKeyZGMOZTPNDZKKLM-UHFFFAOYSA-N
XLogP-1.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide (CID 87282738) is 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide is CNC(=O)COC1CN(C=O)C1.
What is the InChIKey of 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide?
The InChIKey is ZGMOZTPNDZKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-8-7(11)4-12-6-2-9(3-6)5-10/h5-6H,2-4H2,1H3,(H,8,11).
What are the key properties of 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide?
2-(1-formylazetidin-3-yl)oxy-N-methylacetamide has a molecular weight of 172.18 g/mol, XLogP of -1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formylazetidin-3-yl)oxy-N-methylacetamide is sourced from PubChem (CID 87282738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).