4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one

C12H12N2O — CID 2786883

IUPAC4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
SMILESNc1cc(=O)n2c3c(cccc13)CCC2
InChIInChI=1S/C12H12N2O/c13-10-7-11(15)14-6-2-4-8-3-1-5-9(10)12(8)14/h1,3,5,7H,2,4,6,13H2
InChIKeyFCHNBLBVZLSWHT-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.53
Rot. Bonds

About 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one

4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one (PubChem CID 2786883) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one.

Molecular Properties

Compound Name4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
PubChem CID2786883
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
SMILESNc1cc(=O)n2c3c(cccc13)CCC2
InChIInChI=1S/C12H12N2O/c13-10-7-11(15)14-6-2-4-8-3-1-5-9(10)12(8)14/h1,3,5,7H,2,4,6,13H2
InChIKeyFCHNBLBVZLSWHT-UHFFFAOYSA-N
XLogP1.53
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
The IUPAC name of 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one (CID 2786883) is 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one.
What is the SMILES notation for 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
The canonical SMILES for 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one is Nc1cc(=O)n2c3c(cccc13)CCC2.
What is the InChIKey of 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
The InChIKey is FCHNBLBVZLSWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-10-7-11(15)14-6-2-4-8-3-1-5-9(10)12(8)14/h1,3,5,7H,2,4,6,13H2.
What are the key properties of 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one is sourced from PubChem (CID 2786883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).