1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone

C7H12O2 — CID 170449125

IUPAC1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@@H]1C(C)O
InChIInChI=1S/C7H12O2/c1-4(8)6-3-7(6)5(2)9/h4,6-8H,3H2,1-2H3/t4?,6-,7-/m1/s1
InChIKeyYEWDYODNPMDAPT-AMUJUKTHSA-N
MW128.17 g/mol
LogP0.59
Rot. Bonds2

About 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone

1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone (PubChem CID 170449125) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone
PubChem CID170449125
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@@H]1C(C)O
InChIInChI=1S/C7H12O2/c1-4(8)6-3-7(6)5(2)9/h4,6-8H,3H2,1-2H3/t4?,6-,7-/m1/s1
InChIKeyYEWDYODNPMDAPT-AMUJUKTHSA-N
XLogP0.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,4-dihydroxy-5-propan-2-ylcyclohexyl)ethanone
CID 142932088
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
1-(2,3,4-triacetylcyclopentyl)ethanone
CID 20647725
trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide
CID 130399557
cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide
CID 89112285
[(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate
CID 175935673
trans-(1S,2S)-2-(dihydroxymethyl)cyclopropane-1-carboxylic acid
CID 89399959
1-(2-bicyclo[2.1.1]hexanyl)ethanone
CID 105427231
(2S)-2-acetylcyclopropane-1-carboxamide
CID 89033165
trans-(1S,2S)-2-acetylcyclobutane-1-carboxamide
CID 55290686
1-(2-bicyclo[2.1.1]hexanyl)ethanol
CID 105427290
trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
CID 45084156

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone (CID 170449125) is 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone is CC(=O)[C@H]1C[C@@H]1C(C)O.
What is the InChIKey of 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone?
The InChIKey is YEWDYODNPMDAPT-AMUJUKTHSA-N. The full InChI is InChI=1S/C7H12O2/c1-4(8)6-3-7(6)5(2)9/h4,6-8H,3H2,1-2H3/t4?,6-,7-/m1/s1.
What are the key properties of 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone?
1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone has a molecular weight of 128.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone is sourced from PubChem (CID 170449125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).