4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one

C8H10O2 — CID 15103017

IUPAC4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one
SMILESCOC1=C(C)C(=O)C2CC12
InChIInChI=1S/C8H10O2/c1-4-7(9)5-3-6(5)8(4)10-2/h5-6H,3H2,1-2H3
InChIKeyPRUDGTXCLAKNOW-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.13
Rot. Bonds1

About 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one

4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one (PubChem CID 15103017) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one.

Molecular Properties

Compound Name4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one
PubChem CID15103017
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one
SMILESCOC1=C(C)C(=O)C2CC12
InChIInChI=1S/C8H10O2/c1-4-7(9)5-3-6(5)8(4)10-2/h5-6H,3H2,1-2H3
InChIKeyPRUDGTXCLAKNOW-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one?
The IUPAC name of 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one (CID 15103017) is 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one.
What is the SMILES notation for 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one?
The canonical SMILES for 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one is COC1=C(C)C(=O)C2CC12.
What is the InChIKey of 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one?
The InChIKey is PRUDGTXCLAKNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-7(9)5-3-6(5)8(4)10-2/h5-6H,3H2,1-2H3.
What are the key properties of 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one?
4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one is sourced from PubChem (CID 15103017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).