1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one

C11H14N2O — CID 67435758

IUPAC1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one
SMILESO=C1NC2CC=CC3CC=CCN1C32
InChIInChI=1S/C11H14N2O/c14-11-12-9-6-3-5-8-4-1-2-7-13(11)10(8)9/h1-3,5,8-10H,4,6-7H2,(H,12,14)
InChIKeyCIFTWOKFOIEDFZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.28
Rot. Bonds

About 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one

1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one (PubChem CID 67435758) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one.

Molecular Properties

Compound Name1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one
PubChem CID67435758
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one
SMILESO=C1NC2CC=CC3CC=CCN1C32
InChIInChI=1S/C11H14N2O/c14-11-12-9-6-3-5-8-4-1-2-7-13(11)10(8)9/h1-3,5,8-10H,4,6-7H2,(H,12,14)
InChIKeyCIFTWOKFOIEDFZ-UHFFFAOYSA-N
XLogP1.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-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 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one?
The IUPAC name of 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one (CID 67435758) is 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one.
What is the SMILES notation for 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one?
The canonical SMILES for 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one is O=C1NC2CC=CC3CC=CCN1C32.
What is the InChIKey of 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one?
The InChIKey is CIFTWOKFOIEDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11-12-9-6-3-5-8-4-1-2-7-13(11)10(8)9/h1-3,5,8-10H,4,6-7H2,(H,12,14).
What are the key properties of 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one?
1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazatricyclo[6.4.1.04,13]trideca-6,10-dien-2-one is sourced from PubChem (CID 67435758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).