2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone

C7H12O2 — CID 129256153

IUPAC2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone
SMILESCOCC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C7H12O2/c1-5-3-6(5)7(8)4-9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyQTDUFYAOKOLFEU-PHDIDXHHSA-N
MW128.17 g/mol
LogP0.86
Rot. Bonds3

About 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone

2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone (PubChem CID 129256153) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone
PubChem CID129256153
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone
SMILESCOCC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C7H12O2/c1-5-3-6(5)7(8)4-9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyQTDUFYAOKOLFEU-PHDIDXHHSA-N
XLogP0.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone 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 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone?
The IUPAC name of 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone (CID 129256153) is 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone?
The canonical SMILES for 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone is COCC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone?
The InChIKey is QTDUFYAOKOLFEU-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-3-6(5)7(8)4-9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone?
2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone has a molecular weight of 128.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(1R,2R)-2-methylcyclopropyl]ethanone is sourced from PubChem (CID 129256153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).