2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one

C14H16N2O2 — CID 25143891

IUPAC2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESCCC(=O)N1CCc2cccc3c2C1CNC3=O
InChIInChI=1S/C14H16N2O2/c1-2-12(17)16-7-6-9-4-3-5-10-13(9)11(16)8-15-14(10)18/h3-5,11H,2,6-8H2,1H3,(H,15,18)
InChIKeySVNDFUJFSRVQNO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.27
Rot. Bonds1

About 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one

2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (PubChem CID 25143891) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.

Molecular Properties

Compound Name2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
PubChem CID25143891
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESCCC(=O)N1CCc2cccc3c2C1CNC3=O
InChIInChI=1S/C14H16N2O2/c1-2-12(17)16-7-6-9-4-3-5-10-13(9)11(16)8-15-14(10)18/h3-5,11H,2,6-8H2,1H3,(H,15,18)
InChIKeySVNDFUJFSRVQNO-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-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 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The IUPAC name of 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (CID 25143891) is 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.
What is the SMILES notation for 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The canonical SMILES for 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is CCC(=O)N1CCc2cccc3c2C1CNC3=O.
What is the InChIKey of 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The InChIKey is SVNDFUJFSRVQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-12(17)16-7-6-9-4-3-5-10-13(9)11(16)8-15-14(10)18/h3-5,11H,2,6-8H2,1H3,(H,15,18).
What are the key properties of 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one has a molecular weight of 244.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is sourced from PubChem (CID 25143891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).