10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid

C10H6N2O3 — CID 66612977

IUPAC10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc3occc3c12
InChIInChI=1S/C10H6N2O3/c13-10(14)7-5-11-12-3-1-8-6(9(7)12)2-4-15-8/h1-5H,(H,13,14)
InChIKeyFDRMVMDFNDUTKP-UHFFFAOYSA-N
MW202.17 g/mol
LogP1.78
Rot. Bonds1

About 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid

10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid (PubChem CID 66612977) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid.

Molecular Properties

Compound Name10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid
PubChem CID66612977
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc3occc3c12
InChIInChI=1S/C10H6N2O3/c13-10(14)7-5-11-12-3-1-8-6(9(7)12)2-4-15-8/h1-5H,(H,13,14)
InChIKeyFDRMVMDFNDUTKP-UHFFFAOYSA-N
XLogP1.78
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid?
The IUPAC name of 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid (CID 66612977) is 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid.
What is the SMILES notation for 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid?
The canonical SMILES for 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid is O=C(O)c1cnn2ccc3occc3c12.
What is the InChIKey of 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid?
The InChIKey is FDRMVMDFNDUTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c13-10(14)7-5-11-12-3-1-8-6(9(7)12)2-4-15-8/h1-5H,(H,13,14).
What are the key properties of 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid?
10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid has a molecular weight of 202.17 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-3-carboxylic acid is sourced from PubChem (CID 66612977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).