1-methoxy-2-methylidenecyclopropane

C5H8O — CID 14290068

IUPAC1-methoxy-2-methylidenecyclopropane
SMILESC=C1CC1OC
InChIInChI=1S/C5H8O/c1-4-3-5(4)6-2/h5H,1,3H2,2H3
InChIKeyBPMGQKQMJXVVEA-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.96
Rot. Bonds1

About 1-methoxy-2-methylidenecyclopropane

1-methoxy-2-methylidenecyclopropane (PubChem CID 14290068) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 1-methoxy-2-methylidenecyclopropane.

Molecular Properties

Compound Name1-methoxy-2-methylidenecyclopropane
PubChem CID14290068
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name1-methoxy-2-methylidenecyclopropane
SMILESC=C1CC1OC
InChIInChI=1S/C5H8O/c1-4-3-5(4)6-2/h5H,1,3H2,2H3
InChIKeyBPMGQKQMJXVVEA-UHFFFAOYSA-N
XLogP0.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylidenecyclopropane?
The IUPAC name of 1-methoxy-2-methylidenecyclopropane (CID 14290068) is 1-methoxy-2-methylidenecyclopropane.
What is the SMILES notation for 1-methoxy-2-methylidenecyclopropane?
The canonical SMILES for 1-methoxy-2-methylidenecyclopropane is C=C1CC1OC.
What is the InChIKey of 1-methoxy-2-methylidenecyclopropane?
The InChIKey is BPMGQKQMJXVVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-4-3-5(4)6-2/h5H,1,3H2,2H3.
What are the key properties of 1-methoxy-2-methylidenecyclopropane?
1-methoxy-2-methylidenecyclopropane has a molecular weight of 84.12 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylidenecyclopropane is sourced from PubChem (CID 14290068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).