1-methyl-7-oxabicyclo[4.1.0]hept-3-ene

C7H10O — CID 15577855

IUPAC1-methyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCC12CC=CCC1O2
InChIInChI=1S/C7H10O/c1-7-5-3-2-4-6(7)8-7/h2-3,6H,4-5H2,1H3
InChIKeyZZGMKTTUPBYCBO-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.49
Rot. Bonds

About 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene

1-methyl-7-oxabicyclo[4.1.0]hept-3-ene (PubChem CID 15577855) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name1-methyl-7-oxabicyclo[4.1.0]hept-3-ene
PubChem CID15577855
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name1-methyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCC12CC=CCC1O2
InChIInChI=1S/C7H10O/c1-7-5-3-2-4-6(7)8-7/h2-3,6H,4-5H2,1H3
InChIKeyZZGMKTTUPBYCBO-UHFFFAOYSA-N
XLogP1.49
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
The IUPAC name of 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene (CID 15577855) is 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene is CC12CC=CCC1O2.
What is the InChIKey of 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
The InChIKey is ZZGMKTTUPBYCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-7-5-3-2-4-6(7)8-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
1-methyl-7-oxabicyclo[4.1.0]hept-3-ene has a molecular weight of 110.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 15577855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).