2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

C8H13NO2 — CID 129100675

IUPAC2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC1[C@H]2CN(C(=O)CO)C[C@@H]12
InChIInChI=1S/C8H13NO2/c1-5-6-2-9(3-7(5)6)8(11)4-10/h5-7,10H,2-4H2,1H3/t5?,6-,7+
InChIKeyXFAILRYTAAAJBZ-DGUCWDHESA-N
MW155.20 g/mol
LogP-0.30
Rot. Bonds1

About 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (PubChem CID 129100675) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
PubChem CID129100675
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC1[C@H]2CN(C(=O)CO)C[C@@H]12
InChIInChI=1S/C8H13NO2/c1-5-6-2-9(3-7(5)6)8(11)4-10/h5-7,10H,2-4H2,1H3/t5?,6-,7+
InChIKeyXFAILRYTAAAJBZ-DGUCWDHESA-N
XLogP-0.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (CID 129100675) is 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is CC1[C@H]2CN(C(=O)CO)C[C@@H]12.
What is the InChIKey of 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The InChIKey is XFAILRYTAAAJBZ-DGUCWDHESA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6-2-9(3-7(5)6)8(11)4-10/h5-7,10H,2-4H2,1H3/t5?,6-,7+.
What are the key properties of 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone has a molecular weight of 155.20 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is sourced from PubChem (CID 129100675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).