3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid

C10H8N2O3 — CID 96618736

IUPAC3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid
SMILESO=C(O)c1cc2c(o1)-c1[nH]ccc1CN2
InChIInChI=1S/C10H8N2O3/c13-10(14)7-3-6-9(15-7)8-5(4-12-6)1-2-11-8/h1-3,11-12H,4H2,(H,13,14)
InChIKeySCCYIVATXDAJTL-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.90
Rot. Bonds1

About 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid

3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid (PubChem CID 96618736) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid.

Molecular Properties

Compound Name3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid
PubChem CID96618736
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid
SMILESO=C(O)c1cc2c(o1)-c1[nH]ccc1CN2
InChIInChI=1S/C10H8N2O3/c13-10(14)7-3-6-9(15-7)8-5(4-12-6)1-2-11-8/h1-3,11-12H,4H2,(H,13,14)
InChIKeySCCYIVATXDAJTL-UHFFFAOYSA-N
XLogP1.90
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid?
The IUPAC name of 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid (CID 96618736) is 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid.
What is the SMILES notation for 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid?
The canonical SMILES for 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid is O=C(O)c1cc2c(o1)-c1[nH]ccc1CN2.
What is the InChIKey of 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid?
The InChIKey is SCCYIVATXDAJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-10(14)7-3-6-9(15-7)8-5(4-12-6)1-2-11-8/h1-3,11-12H,4H2,(H,13,14).
What are the key properties of 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid?
3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid is sourced from PubChem (CID 96618736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).