1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone

C8H14O — CID 89117681

IUPAC1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
SMILESCC[C@H]1C[C@@]1(C)C(C)=O
InChIInChI=1S/C8H14O/c1-4-7-5-8(7,3)6(2)9/h7H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyUAHVFWMMSCUUCZ-YUMQZZPRSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds2

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

1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone (PubChem CID 89117681) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
PubChem CID89117681
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
SMILESCC[C@H]1C[C@@]1(C)C(C)=O
InChIInChI=1S/C8H14O/c1-4-7-5-8(7,3)6(2)9/h7H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyUAHVFWMMSCUUCZ-YUMQZZPRSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(1R,2S)-2-ethyl-1-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 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone (CID 89117681) is 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone is CC[C@H]1C[C@@]1(C)C(C)=O.
What is the InChIKey of 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone?
The InChIKey is UAHVFWMMSCUUCZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7-5-8(7,3)6(2)9/h7H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone?
1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone has a molecular weight of 126.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone is sourced from PubChem (CID 89117681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).