3-methoxyazete

C4H5NO — CID 154483457

IUPAC3-methoxyazete
SMILESCOC1=CN=C1
InChIInChI=1S/C4H5NO/c1-6-4-2-5-3-4/h2-3H,1H3
InChIKeyMLMQWJXEPOCESH-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.56
Rot. Bonds1

About 3-methoxyazete

3-methoxyazete (PubChem CID 154483457) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is 3-methoxyazete.

Molecular Properties

Compound Name3-methoxyazete
PubChem CID154483457
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name3-methoxyazete
SMILESCOC1=CN=C1
InChIInChI=1S/C4H5NO/c1-6-4-2-5-3-4/h2-3H,1H3
InChIKeyMLMQWJXEPOCESH-UHFFFAOYSA-N
XLogP0.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-methoxy-3-methyliminoprop-1-en-1-amine
CID 88067985
2-methoxy-N-methylprop-2-en-1-imine
CID 123732044
N-[(Z)-2-methoxyprop-1-enyl]ethanimine
CID 142265858
N-ethenyl-2-methoxyprop-2-en-1-imine
CID 143723017
2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 146187115
2-Methoxy-3-methyliminoprop-1-en-1-amine
CID 146985540
N-ethyl-2-methoxyprop-2-en-1-imine
CID 156111284
(E)-2-methoxy-N'-methylideneprop-2-ene-1,3-diimine
CID 168230775
N-[(E)-2-methoxyprop-1-enyl]ethanimine
CID 145129611
CID 154483456
CID 154483456
CID 154484730
CID 154484730

Frequently Asked Questions

What is the IUPAC name of 3-methoxyazete?
The IUPAC name of 3-methoxyazete (CID 154483457) is 3-methoxyazete.
What is the SMILES notation for 3-methoxyazete?
The canonical SMILES for 3-methoxyazete is COC1=CN=C1.
What is the InChIKey of 3-methoxyazete?
The InChIKey is MLMQWJXEPOCESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c1-6-4-2-5-3-4/h2-3H,1H3.
What are the key properties of 3-methoxyazete?
3-methoxyazete has a molecular weight of 83.09 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyazete is sourced from PubChem (CID 154483457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).