1-(2-ethoxycyclopropyl)ethanone

C7H12O2 — CID 105427366

IUPAC1-(2-ethoxycyclopropyl)ethanone
SMILESCCOC1CC1C(C)=O
InChIInChI=1S/C7H12O2/c1-3-9-7-4-6(7)5(2)8/h6-7H,3-4H2,1-2H3
InChIKeyXOBNPFBPDSZRDM-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.00
Rot. Bonds3

About 1-(2-ethoxycyclopropyl)ethanone

1-(2-ethoxycyclopropyl)ethanone (PubChem CID 105427366) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(2-ethoxycyclopropyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxycyclopropyl)ethanone
PubChem CID105427366
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-(2-ethoxycyclopropyl)ethanone
SMILESCCOC1CC1C(C)=O
InChIInChI=1S/C7H12O2/c1-3-9-7-4-6(7)5(2)8/h6-7H,3-4H2,1-2H3
InChIKeyXOBNPFBPDSZRDM-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethoxycyclopropyl)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 1-(2-ethoxycyclopropyl)ethanone?
The IUPAC name of 1-(2-ethoxycyclopropyl)ethanone (CID 105427366) is 1-(2-ethoxycyclopropyl)ethanone.
What is the SMILES notation for 1-(2-ethoxycyclopropyl)ethanone?
The canonical SMILES for 1-(2-ethoxycyclopropyl)ethanone is CCOC1CC1C(C)=O.
What is the InChIKey of 1-(2-ethoxycyclopropyl)ethanone?
The InChIKey is XOBNPFBPDSZRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-9-7-4-6(7)5(2)8/h6-7H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethoxycyclopropyl)ethanone?
1-(2-ethoxycyclopropyl)ethanone has a molecular weight of 128.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxycyclopropyl)ethanone is sourced from PubChem (CID 105427366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).