4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione

C11H15NO4 — CID 71270056

IUPAC4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione
SMILESCCN1C(=O)CC2C=CC(CO)(CC1=O)O2
InChIInChI=1S/C11H15NO4/c1-2-12-9(14)5-8-3-4-11(7-13,16-8)6-10(12)15/h3-4,8,13H,2,5-7H2,1H3
InChIKeyZXJPYHYXMOWETC-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.16
Rot. Bonds2

About 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione

4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione (PubChem CID 71270056) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione
PubChem CID71270056
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione
SMILESCCN1C(=O)CC2C=CC(CO)(CC1=O)O2
InChIInChI=1S/C11H15NO4/c1-2-12-9(14)5-8-3-4-11(7-13,16-8)6-10(12)15/h3-4,8,13H,2,5-7H2,1H3
InChIKeyZXJPYHYXMOWETC-UHFFFAOYSA-N
XLogP-0.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione?
The IUPAC name of 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione (CID 71270056) is 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione?
The canonical SMILES for 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione is CCN1C(=O)CC2C=CC(CO)(CC1=O)O2.
What is the InChIKey of 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione?
The InChIKey is ZXJPYHYXMOWETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-12-9(14)5-8-3-4-11(7-13,16-8)6-10(12)15/h3-4,8,13H,2,5-7H2,1H3.
What are the key properties of 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione?
4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione has a molecular weight of 225.24 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(hydroxymethyl)-10-oxa-4-azabicyclo[5.2.1]dec-8-ene-3,5-dione is sourced from PubChem (CID 71270056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).