1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one

C11H18O3 — CID 59080135

IUPAC1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@@H]1CCCC1C(=O)CO
InChIInChI=1S/C11H18O3/c1-7(2)11(14)9-5-3-4-8(9)10(13)6-12/h7-9,12H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyYNSHIQHWNXMBKB-YGPZHTELSA-N
MW198.26 g/mol
LogP1.19
Rot. Bonds4

About 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one

1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one (PubChem CID 59080135) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one
PubChem CID59080135
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@@H]1CCCC1C(=O)CO
InChIInChI=1S/C11H18O3/c1-7(2)11(14)9-5-3-4-8(9)10(13)6-12/h7-9,12H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyYNSHIQHWNXMBKB-YGPZHTELSA-N
XLogP1.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one
CID 59682192
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone
CID 24975216
1-(2-aminocycloheptyl)-2-methylpropan-1-one
CID 116595078
2-hydroxy-1-[5-(2-hydroxyacetyl)-2-bicyclo[2.2.2]octanyl]ethanone
CID 118500429
1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
CID 91067725
2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one
CID 166581252
1-[(1S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-hydroxyethanone
CID 130918400
trans-(1R,2R)-2-(3-methylbutanoyl)cyclohexane-1-carboxylic acid
CID 124669057
1-(2-acetylcyclohexyl)-2-methylbutan-1-one
CID 149155642
4-cyclobutyl-1-hydroxypentan-2-one
CID 123792654
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 14849276

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one?
The IUPAC name of 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one (CID 59080135) is 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one is CC(C)C(=O)[C@@H]1CCCC1C(=O)CO.
What is the InChIKey of 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one?
The InChIKey is YNSHIQHWNXMBKB-YGPZHTELSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)11(14)9-5-3-4-8(9)10(13)6-12/h7-9,12H,3-6H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one?
1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one is sourced from PubChem (CID 59080135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).