3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride

C13H19ClN2O — CID 22987796

IUPAC3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
SMILESCCc1ccc(=O)n2c1C1CNCC(C1)C2.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-10-3-4-12(16)15-8-9-5-11(13(10)15)7-14-6-9;/h3-4,9,11,14H,2,5-8H2,1H3;1H
InChIKeyWOCWMGWFWHNWLW-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.54
Rot. Bonds1

About 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride

3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride (PubChem CID 22987796) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
PubChem CID22987796
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
SMILESCCc1ccc(=O)n2c1C1CNCC(C1)C2.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-10-3-4-12(16)15-8-9-5-11(13(10)15)7-14-6-9;/h3-4,9,11,14H,2,5-8H2,1H3;1H
InChIKeyWOCWMGWFWHNWLW-UHFFFAOYSA-N
XLogP1.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride 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 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride?
The IUPAC name of 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride (CID 22987796) is 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride.
What is the SMILES notation for 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride?
The canonical SMILES for 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride is CCc1ccc(=O)n2c1C1CNCC(C1)C2.Cl.
What is the InChIKey of 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride?
The InChIKey is WOCWMGWFWHNWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-2-10-3-4-12(16)15-8-9-5-11(13(10)15)7-14-6-9;/h3-4,9,11,14H,2,5-8H2,1H3;1H.
What are the key properties of 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride?
3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride is sourced from PubChem (CID 22987796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).