8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C10H13NO3 — CID 58279939

IUPAC8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1NC(=O)C2C3CC(CC3CO)C12
InChIInChI=1S/C10H13NO3/c12-3-5-1-4-2-6(5)8-7(4)9(13)11-10(8)14/h4-8,12H,1-3H2,(H,11,13,14)
InChIKeyRQHBDODVTQNMRW-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.48
Rot. Bonds1

About 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 58279939) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID58279939
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1NC(=O)C2C3CC(CC3CO)C12
InChIInChI=1S/C10H13NO3/c12-3-5-1-4-2-6(5)8-7(4)9(13)11-10(8)14/h4-8,12H,1-3H2,(H,11,13,14)
InChIKeyRQHBDODVTQNMRW-UHFFFAOYSA-N
XLogP-0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 58279939) is 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1NC(=O)C2C3CC(CC3CO)C12.
What is the InChIKey of 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is RQHBDODVTQNMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-3-5-1-4-2-6(5)8-7(4)9(13)11-10(8)14/h4-8,12H,1-3H2,(H,11,13,14).
What are the key properties of 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 195.22 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 58279939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).