1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone

C8H15NO2 — CID 45086087

IUPAC1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone
SMILESCNO[C@H]1CCC[C@H]1C(C)=O
InChIInChI=1S/C8H15NO2/c1-6(10)7-4-3-5-8(7)11-9-2/h7-9H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyCDUSBOJKOBQYRG-YUMQZZPRSA-N
MW157.21 g/mol
LogP0.90
Rot. Bonds3

About 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone

1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone (PubChem CID 45086087) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone
PubChem CID45086087
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone
SMILESCNO[C@H]1CCC[C@H]1C(C)=O
InChIInChI=1S/C8H15NO2/c1-6(10)7-4-3-5-8(7)11-9-2/h7-9H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyCDUSBOJKOBQYRG-YUMQZZPRSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2R)-2-trimethylsilyloxycyclopentyl]ethanone
CID 15524463
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron
CID 158478466
trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
1-(8-acetyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanone
CID 70178194
1-(2-bromocyclopentyl)ethanone
CID 68839604
2-acetylcyclopentane-1-carbothioic S-acid
CID 139900215
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone
CID 93498894
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
CID 14711766
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone (CID 45086087) is 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone is CNO[C@H]1CCC[C@H]1C(C)=O.
What is the InChIKey of 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone?
The InChIKey is CDUSBOJKOBQYRG-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)7-4-3-5-8(7)11-9-2/h7-9H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone?
1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone is sourced from PubChem (CID 45086087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).