1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine

C6H11NO3 — CID 151840617

IUPAC1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine
SMILESCCON=CC1COCO1
InChIInChI=1S/C6H11NO3/c1-2-10-7-3-6-4-8-5-9-6/h3,6H,2,4-5H2,1H3
InChIKeySGORTOZEZASWDZ-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.38
Rot. Bonds3

About 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine

1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine (PubChem CID 151840617) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine.

Molecular Properties

Compound Name1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine
PubChem CID151840617
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine
SMILESCCON=CC1COCO1
InChIInChI=1S/C6H11NO3/c1-2-10-7-3-6-4-8-5-9-6/h3,6H,2,4-5H2,1H3
InChIKeySGORTOZEZASWDZ-UHFFFAOYSA-N
XLogP0.38
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine?
The IUPAC name of 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine (CID 151840617) is 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine.
What is the SMILES notation for 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine?
The canonical SMILES for 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine is CCON=CC1COCO1.
What is the InChIKey of 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine?
The InChIKey is SGORTOZEZASWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-10-7-3-6-4-8-5-9-6/h3,6H,2,4-5H2,1H3.
What are the key properties of 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine?
1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine has a molecular weight of 145.16 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine is sourced from PubChem (CID 151840617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).