12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid

C12H10N2O3 — CID 66785929

IUPAC12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid
SMILESO=C1CN(C(=O)O)Cc2cccc3[nH]cc1c23
InChIInChI=1S/C12H10N2O3/c15-10-6-14(12(16)17)5-7-2-1-3-9-11(7)8(10)4-13-9/h1-4,13H,5-6H2,(H,16,17)
InChIKeyHRRWBQPVMIJHNK-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.84
Rot. Bonds

About 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid

12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid (PubChem CID 66785929) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid.

Molecular Properties

Compound Name12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid
PubChem CID66785929
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid
SMILESO=C1CN(C(=O)O)Cc2cccc3[nH]cc1c23
InChIInChI=1S/C12H10N2O3/c15-10-6-14(12(16)17)5-7-2-1-3-9-11(7)8(10)4-13-9/h1-4,13H,5-6H2,(H,16,17)
InChIKeyHRRWBQPVMIJHNK-UHFFFAOYSA-N
XLogP1.84
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid?
The IUPAC name of 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid (CID 66785929) is 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid.
What is the SMILES notation for 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid?
The canonical SMILES for 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid is O=C1CN(C(=O)O)Cc2cccc3[nH]cc1c23.
What is the InChIKey of 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid?
The InChIKey is HRRWBQPVMIJHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-10-6-14(12(16)17)5-7-2-1-3-9-11(7)8(10)4-13-9/h1-4,13H,5-6H2,(H,16,17).
What are the key properties of 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid?
12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid is sourced from PubChem (CID 66785929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).