2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine

C9H15NO3 — CID 173058150

IUPAC2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine
SMILESCOC1=CC=CNC1C(OC)OC
InChIInChI=1S/C9H15NO3/c1-11-7-5-4-6-10-8(7)9(12-2)13-3/h4-6,8-10H,1-3H3
InChIKeyVPDAIVKITLANIM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds4

About 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine

2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine (PubChem CID 173058150) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine
PubChem CID173058150
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine
SMILESCOC1=CC=CNC1C(OC)OC
InChIInChI=1S/C9H15NO3/c1-11-7-5-4-6-10-8(7)9(12-2)13-3/h4-6,8-10H,1-3H3
InChIKeyVPDAIVKITLANIM-UHFFFAOYSA-N
XLogP0.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine?
The IUPAC name of 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine (CID 173058150) is 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine.
What is the SMILES notation for 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine?
The canonical SMILES for 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine is COC1=CC=CNC1C(OC)OC.
What is the InChIKey of 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine?
The InChIKey is VPDAIVKITLANIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-11-7-5-4-6-10-8(7)9(12-2)13-3/h4-6,8-10H,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine?
2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine has a molecular weight of 185.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 173058150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).