1,3-dioxole;2-methoxy-N-methylethanimine

C7H13NO3 — CID 143779079

IUPAC1,3-dioxole;2-methoxy-N-methylethanimine
SMILESC/N=C/COC.C1=COCO1
InChIInChI=1S/C4H9NO.C3H4O2/c1-5-3-4-6-2;1-2-5-3-4-1/h3H,4H2,1-2H3;1-2H,3H2/b5-3+;
InChIKeyLYLGZJPMZHQXKQ-WGCWOXMQSA-N
MW159.19 g/mol
LogP0.80
Rot. Bonds2

About 1,3-dioxole;2-methoxy-N-methylethanimine

1,3-dioxole;2-methoxy-N-methylethanimine (PubChem CID 143779079) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1,3-dioxole;2-methoxy-N-methylethanimine.

Molecular Properties

Compound Name1,3-dioxole;2-methoxy-N-methylethanimine
PubChem CID143779079
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name1,3-dioxole;2-methoxy-N-methylethanimine
SMILESC/N=C/COC.C1=COCO1
InChIInChI=1S/C4H9NO.C3H4O2/c1-5-3-4-6-2;1-2-5-3-4-1/h3H,4H2,1-2H3;1-2H,3H2/b5-3+;
InChIKeyLYLGZJPMZHQXKQ-WGCWOXMQSA-N
XLogP0.80
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxole;2-methoxy-N-methylethanimine?
The IUPAC name of 1,3-dioxole;2-methoxy-N-methylethanimine (CID 143779079) is 1,3-dioxole;2-methoxy-N-methylethanimine.
What is the SMILES notation for 1,3-dioxole;2-methoxy-N-methylethanimine?
The canonical SMILES for 1,3-dioxole;2-methoxy-N-methylethanimine is C/N=C/COC.C1=COCO1.
What is the InChIKey of 1,3-dioxole;2-methoxy-N-methylethanimine?
The InChIKey is LYLGZJPMZHQXKQ-WGCWOXMQSA-N. The full InChI is InChI=1S/C4H9NO.C3H4O2/c1-5-3-4-6-2;1-2-5-3-4-1/h3H,4H2,1-2H3;1-2H,3H2/b5-3+;.
What are the key properties of 1,3-dioxole;2-methoxy-N-methylethanimine?
1,3-dioxole;2-methoxy-N-methylethanimine has a molecular weight of 159.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxole;2-methoxy-N-methylethanimine is sourced from PubChem (CID 143779079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).