(1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one

C7H11NO2 — CID 130898747

IUPAC(1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1N[C@@H]2C[C@H]1C[C@H]2CO
InChIInChI=1S/C7H11NO2/c9-3-5-1-4-2-6(5)8-7(4)10/h4-6,9H,1-3H2,(H,8,10)/t4-,5+,6-/m1/s1
InChIKeyNGIAEZFYFJDJQO-NGJCXOISSA-N
MW141.17 g/mol
LogP-0.50
Rot. Bonds1

About (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one

(1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 130898747) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID130898747
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1N[C@@H]2C[C@H]1C[C@H]2CO
InChIInChI=1S/C7H11NO2/c9-3-5-1-4-2-6(5)8-7(4)10/h4-6,9H,1-3H2,(H,8,10)/t4-,5+,6-/m1/s1
InChIKeyNGIAEZFYFJDJQO-NGJCXOISSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one
CID 164585640
4-hydroxy-6-azabicyclo[3.2.1]octan-7-one
CID 66804290
(1R,5S,6R)-6-(hydroxymethyl)bicyclo[3.2.1]octan-8-one
CID 13213099
(1S,4S,5S)-4-iodo-6-azabicyclo[3.2.1]octan-7-one
CID 11514335
5-(hydroxymethyl)-1,3-diazinane-2,4,6-trione
CID 141227238
6-(4-chlorophenyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 75164423
4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol
CID 176808725
cis-(3S,4R)-3,4-bis(hydroxymethyl)cyclopentan-1-one
CID 11389450
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
(1R,5S,6S)-6-(hydroxymethyl)bicyclo[3.2.0]heptan-2-one
CID 102285247
[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]cyclopropyl]cyclopropyl]methanol
CID 10631296
3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one
CID 166972552

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one (CID 130898747) is (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one is O=C1N[C@@H]2C[C@H]1C[C@H]2CO.
What is the InChIKey of (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is NGIAEZFYFJDJQO-NGJCXOISSA-N. The full InChI is InChI=1S/C7H11NO2/c9-3-5-1-4-2-6(5)8-7(4)10/h4-6,9H,1-3H2,(H,8,10)/t4-,5+,6-/m1/s1.
What are the key properties of (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one?
(1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 130898747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).