1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one

C11H18O2 — CID 144530099

IUPAC1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one
SMILESCCC(=O)[C@H]1CCCC[C@H]1C(C)=O
InChIInChI=1S/C11H18O2/c1-3-11(13)10-7-5-4-6-9(10)8(2)12/h9-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyNLRGLZAENOFNKC-UWVGGRQHSA-N
MW182.26 g/mol
LogP2.36
Rot. Bonds3

About 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one

1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one (PubChem CID 144530099) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one
PubChem CID144530099
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one
SMILESCCC(=O)[C@H]1CCCC[C@H]1C(C)=O
InChIInChI=1S/C11H18O2/c1-3-11(13)10-7-5-4-6-9(10)8(2)12/h9-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyNLRGLZAENOFNKC-UWVGGRQHSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one 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

N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide
CID 144530066
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
1-(2-methylcyclopentyl)propan-1-one
CID 12930148
1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron
CID 158478466
1-(2-acetylcyclohexyl)-2-methylbutan-1-one
CID 149155642
trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
CID 67724946
methyl N-[(2R)-2-propanoylcyclohexyl]carbamate
CID 122592104
1-[(1R,2R)-2-chlorocyclohexyl]ethanone
CID 130848700
2-acetylcyclopentane-1-carbothioic S-acid
CID 139900215
1-[2-(methylaminomethyl)cyclopentyl]propan-1-one
CID 166977994
1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
CID 124509499

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one?
The IUPAC name of 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one (CID 144530099) is 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one.
What is the SMILES notation for 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one?
The canonical SMILES for 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one is CCC(=O)[C@H]1CCCC[C@H]1C(C)=O.
What is the InChIKey of 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one?
The InChIKey is NLRGLZAENOFNKC-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11(13)10-7-5-4-6-9(10)8(2)12/h9-10H,3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one?
1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one is sourced from PubChem (CID 144530099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).