4-methoxy-1,2-dihydroazete

C4H7NO — CID 174083401

IUPAC4-methoxy-1,2-dihydroazete
SMILESCOC1=CCN1
InChIInChI=1S/C4H7NO/c1-6-4-2-3-5-4/h2,5H,3H2,1H3
InChIKeySBKREHYHGXCBNW-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.08
Rot. Bonds1

About 4-methoxy-1,2-dihydroazete

4-methoxy-1,2-dihydroazete (PubChem CID 174083401) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 4-methoxy-1,2-dihydroazete.

Molecular Properties

Compound Name4-methoxy-1,2-dihydroazete
PubChem CID174083401
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name4-methoxy-1,2-dihydroazete
SMILESCOC1=CCN1
InChIInChI=1S/C4H7NO/c1-6-4-2-3-5-4/h2,5H,3H2,1H3
InChIKeySBKREHYHGXCBNW-UHFFFAOYSA-N
XLogP0.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2-dihydroazete?
The IUPAC name of 4-methoxy-1,2-dihydroazete (CID 174083401) is 4-methoxy-1,2-dihydroazete.
What is the SMILES notation for 4-methoxy-1,2-dihydroazete?
The canonical SMILES for 4-methoxy-1,2-dihydroazete is COC1=CCN1.
What is the InChIKey of 4-methoxy-1,2-dihydroazete?
The InChIKey is SBKREHYHGXCBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-6-4-2-3-5-4/h2,5H,3H2,1H3.
What are the key properties of 4-methoxy-1,2-dihydroazete?
4-methoxy-1,2-dihydroazete has a molecular weight of 85.11 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2-dihydroazete is sourced from PubChem (CID 174083401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).