10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid

C12H9NO4 — CID 21261005

IUPAC10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
SMILESO=C(O)c1cn2c3c(cccc3c1=O)OCC2
InChIInChI=1S/C12H9NO4/c14-11-7-2-1-3-9-10(7)13(4-5-17-9)6-8(11)12(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyYILGXIZRZUDENO-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.09
Rot. Bonds1

About 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid

10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid (PubChem CID 21261005) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid.

Molecular Properties

Compound Name10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
PubChem CID21261005
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
SMILESO=C(O)c1cn2c3c(cccc3c1=O)OCC2
InChIInChI=1S/C12H9NO4/c14-11-7-2-1-3-9-10(7)13(4-5-17-9)6-8(11)12(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyYILGXIZRZUDENO-UHFFFAOYSA-N
XLogP1.09
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid with MolForge

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Related Compounds

11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
CID 146319575
naphthalen-1-yl(9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)methanone
CID 154179948
4,10-dioxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
CID 22417137
6-(difluoromethyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
CID 70464890
4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one;hydrochloride
CID 176549696
6-[(4-fluoroanilino)methyl]-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
CID 141055568
4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-10-thione
CID 139979831
ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 142486543
10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one
CID 169153410
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-6-carboxylic acid
CID 83822514
8-bromo-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252685
8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 19776635

Frequently Asked Questions

What is the IUPAC name of 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?
The IUPAC name of 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid (CID 21261005) is 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid.
What is the SMILES notation for 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?
The canonical SMILES for 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid is O=C(O)c1cn2c3c(cccc3c1=O)OCC2.
What is the InChIKey of 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?
The InChIKey is YILGXIZRZUDENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-11-7-2-1-3-9-10(7)13(4-5-17-9)6-8(11)12(15)16/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?
10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid is sourced from PubChem (CID 21261005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).