1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone

C10H17NO2 — CID 58019840

IUPAC1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
SMILESCC(=O)C12CC1C(CO)C(C)N2C
InChIInChI=1S/C10H17NO2/c1-6-8(5-12)9-4-10(9,7(2)13)11(6)3/h6,8-9,12H,4-5H2,1-3H3
InChIKeyIQKJTIOXGCNNLN-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.28
Rot. Bonds2

About 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone

1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone (PubChem CID 58019840) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
PubChem CID58019840
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
SMILESCC(=O)C12CC1C(CO)C(C)N2C
InChIInChI=1S/C10H17NO2/c1-6-8(5-12)9-4-10(9,7(2)13)11(6)3/h6,8-9,12H,4-5H2,1-3H3
InChIKeyIQKJTIOXGCNNLN-UHFFFAOYSA-N
XLogP0.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone (CID 58019840) is 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone is CC(=O)C12CC1C(CO)C(C)N2C.
What is the InChIKey of 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone?
The InChIKey is IQKJTIOXGCNNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-8(5-12)9-4-10(9,7(2)13)11(6)3/h6,8-9,12H,4-5H2,1-3H3.
What are the key properties of 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone?
1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone is sourced from PubChem (CID 58019840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).