7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid

C8H8N2O2 — CID 11586347

IUPAC7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1C1CC1C2
InChIInChI=1S/C8H8N2O2/c11-8(12)7-6-4-1-3(4)2-5(6)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)
InChIKeyUKQFEWRNKWDNBW-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.77
Rot. Bonds1

About 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid

7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid (PubChem CID 11586347) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid.

Molecular Properties

Compound Name7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid
PubChem CID11586347
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1C1CC1C2
InChIInChI=1S/C8H8N2O2/c11-8(12)7-6-4-1-3(4)2-5(6)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)
InChIKeyUKQFEWRNKWDNBW-UHFFFAOYSA-N
XLogP0.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

MK-1903
CID 49763030
4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid
CID 648852
5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 655114
1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 776416
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
CID 655343
8,9-Diazatricyclo[4.3.0.0(2)]nona-1(6),7-diene-7-carboxylic acid
CID 11607970
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 3240332
Spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid
CID 11514051
5-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 11852982
5-(2,3,5-Trifluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 12003490
(2R,3S,4S)-3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 57412214
(2R,3R,4S)-3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 57412216

Frequently Asked Questions

What is the IUPAC name of 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid?
The IUPAC name of 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid (CID 11586347) is 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid.
What is the SMILES notation for 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid?
The canonical SMILES for 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid is O=C(O)c1n[nH]c2c1C1CC1C2.
What is the InChIKey of 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid?
The InChIKey is UKQFEWRNKWDNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)7-6-4-1-3(4)2-5(6)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid?
7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid is sourced from PubChem (CID 11586347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).