methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate

C13H12N2O3 — CID 11230287

IUPACmethyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate
SMILESCOC(=O)c1cn2c3c(cccc13)C(=O)NCC2
InChIInChI=1S/C13H12N2O3/c1-18-13(17)10-7-15-6-5-14-12(16)9-4-2-3-8(10)11(9)15/h2-4,7H,5-6H2,1H3,(H,14,16)
InChIKeyNGVZGFUCFGAGQB-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.17
Rot. Bonds1

About methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate

methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate (PubChem CID 11230287) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate
PubChem CID11230287
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namemethyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate
SMILESCOC(=O)c1cn2c3c(cccc13)C(=O)NCC2
InChIInChI=1S/C13H12N2O3/c1-18-13(17)10-7-15-6-5-14-12(16)9-4-2-3-8(10)11(9)15/h2-4,7H,5-6H2,1H3,(H,14,16)
InChIKeyNGVZGFUCFGAGQB-UHFFFAOYSA-N
XLogP1.17
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate 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 methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate?
The IUPAC name of methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate (CID 11230287) is methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate.
What is the SMILES notation for methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate?
The canonical SMILES for methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate is COC(=O)c1cn2c3c(cccc13)C(=O)NCC2.
What is the InChIKey of methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate?
The InChIKey is NGVZGFUCFGAGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-13(17)10-7-15-6-5-14-12(16)9-4-2-3-8(10)11(9)15/h2-4,7H,5-6H2,1H3,(H,14,16).
What are the key properties of methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate?
methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-3-carboxylate is sourced from PubChem (CID 11230287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).