11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one

C15H18N2O2 — CID 170423038

IUPAC11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
SMILESO=C1OCC2C3CCC(CN12)N3Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c18-15-17-9-12-6-7-13(14(17)10-19-15)16(12)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKeyZVQZUSKADJNBIO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.85
Rot. Bonds2

About 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one

11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one (PubChem CID 170423038) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one.

Molecular Properties

Compound Name11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
PubChem CID170423038
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
SMILESO=C1OCC2C3CCC(CN12)N3Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c18-15-17-9-12-6-7-13(14(17)10-19-15)16(12)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKeyZVQZUSKADJNBIO-UHFFFAOYSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one 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 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one?
The IUPAC name of 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one (CID 170423038) is 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one.
What is the SMILES notation for 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one?
The canonical SMILES for 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one is O=C1OCC2C3CCC(CN12)N3Cc1ccccc1.
What is the InChIKey of 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one?
The InChIKey is ZVQZUSKADJNBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15-17-9-12-6-7-13(14(17)10-19-15)16(12)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2.
What are the key properties of 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one?
11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one has a molecular weight of 258.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one is sourced from PubChem (CID 170423038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).