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

C11H19NO2 — CID 58019818

IUPAC1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
SMILESCC(=O)C12CC1C(C)(CO)C(C)N2C
InChIInChI=1S/C11H19NO2/c1-7-10(3,6-13)9-5-11(9,8(2)14)12(7)4/h7,9,13H,5-6H2,1-4H3
InChIKeyRLFQMUDOSTZNOJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.67
Rot. Bonds2

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

1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone (PubChem CID 58019818) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
PubChem CID58019818
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
SMILESCC(=O)C12CC1C(C)(CO)C(C)N2C
InChIInChI=1S/C11H19NO2/c1-7-10(3,6-13)9-5-11(9,8(2)14)12(7)4/h7,9,13H,5-6H2,1-4H3
InChIKeyRLFQMUDOSTZNOJ-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 58019817
CID 58019817
CID 58019839
CID 58019839
CID 58019842
CID 58019842
(3S,14R,17S,18R)-14-(hydroxymethyl)-3,4,4,19,19-pentamethyl-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione
CID 58311071
(3S,14R,17S,18R,20S)-14-(hydroxymethyl)-3,19,19-trimethyl-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione
CID 58311220
(3S,13R,16S,17R,19S)-13-(hydroxymethyl)-3,18,18-trimethyl-1-azatricyclo[14.4.0.017,19]icosane-2,15-dione
CID 58311347
1-[(1R,2S,5S)-3-acetyl-6-(hydroxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 117755011
1-[(2S,5S,6S)-3-acetyl-6-(hydroxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 153141442
1-[4-(Hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
CID 58019840
1-[4-Hydroxy-4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
CID 58019843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone (CID 58019818) is 1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone is CC(=O)C12CC1C(C)(CO)C(C)N2C.
What is the InChIKey of 1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone?
The InChIKey is RLFQMUDOSTZNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7-10(3,6-13)9-5-11(9,8(2)14)12(7)4/h7,9,13H,5-6H2,1-4H3.
What are the key properties of 1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone?
1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone is sourced from PubChem (CID 58019818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).