1-methoxycyclopropene

C4H6O — CID 66920769

IUPAC1-methoxycyclopropene
SMILESCOC1=CC1
InChIInChI=1S/C4H6O/c1-5-4-2-3-4/h2H,3H2,1H3
InChIKeyBECYNJONIHEYNY-UHFFFAOYSA-N
MW70.09 g/mol
LogP0.92
Rot. Bonds1

About 1-methoxycyclopropene

1-methoxycyclopropene (PubChem CID 66920769) has the molecular formula C4H6O and a molecular weight of 70.09 g/mol. Its IUPAC name is 1-methoxycyclopropene.

Molecular Properties

Compound Name1-methoxycyclopropene
PubChem CID66920769
Molecular FormulaC4H6O
Molecular Weight70.09 g/mol
Exact Mass70.04
IUPAC Name1-methoxycyclopropene
SMILESCOC1=CC1
InChIInChI=1S/C4H6O/c1-5-4-2-3-4/h2H,3H2,1H3
InChIKeyBECYNJONIHEYNY-UHFFFAOYSA-N
XLogP0.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxycyclopropene?
The IUPAC name of 1-methoxycyclopropene (CID 66920769) is 1-methoxycyclopropene.
What is the SMILES notation for 1-methoxycyclopropene?
The canonical SMILES for 1-methoxycyclopropene is COC1=CC1.
What is the InChIKey of 1-methoxycyclopropene?
The InChIKey is BECYNJONIHEYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O/c1-5-4-2-3-4/h2H,3H2,1H3.
What are the key properties of 1-methoxycyclopropene?
1-methoxycyclopropene has a molecular weight of 70.09 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycyclopropene is sourced from PubChem (CID 66920769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).