3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid

C10H5NO4 — CID 112545408

IUPAC3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid
SMILESO=C(O)c1cc2cnc3occc3c2o1
InChIInChI=1S/C10H5NO4/c12-10(13)7-3-5-4-11-9-6(1-2-14-9)8(5)15-7/h1-4H,(H,12,13)
InChIKeyZCVOMVKJIFNXKP-UHFFFAOYSA-N
MW203.15 g/mol
LogP2.27
Rot. Bonds1

About 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid

3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid (PubChem CID 112545408) has the molecular formula C10H5NO4 and a molecular weight of 203.15 g/mol. Its IUPAC name is 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid.

Molecular Properties

Compound Name3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid
PubChem CID112545408
Molecular FormulaC10H5NO4
Molecular Weight203.15 g/mol
Exact Mass203.02
IUPAC Name3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid
SMILESO=C(O)c1cc2cnc3occc3c2o1
InChIInChI=1S/C10H5NO4/c12-10(13)7-3-5-4-11-9-6(1-2-14-9)8(5)15-7/h1-4H,(H,12,13)
InChIKeyZCVOMVKJIFNXKP-UHFFFAOYSA-N
XLogP2.27
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol
CID 10655251
5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 155391838
5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid
CID 142713735
4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 82376011
CID 59303842
CID 59303842
(E)-3-furo[3,2-c]quinolin-2-yl-3-phenylprop-2-enoic acid
CID 142717452
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
4-ethylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82376010
5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82376002
6-bromo-1-oxoisochromene-3-carboxylic acid
CID 114517449
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride
CID 11573737
7-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 82372668

Frequently Asked Questions

What is the IUPAC name of 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid?
The IUPAC name of 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid (CID 112545408) is 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid.
What is the SMILES notation for 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid?
The canonical SMILES for 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid is O=C(O)c1cc2cnc3occc3c2o1.
What is the InChIKey of 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid?
The InChIKey is ZCVOMVKJIFNXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO4/c12-10(13)7-3-5-4-11-9-6(1-2-14-9)8(5)15-7/h1-4H,(H,12,13).
What are the key properties of 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid?
3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid has a molecular weight of 203.15 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid is sourced from PubChem (CID 112545408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).