3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid

C10H10N2O2 — CID 69472155

IUPAC3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
SMILESC=CC1(C(=O)O)C2Cc3cn[nH]c3C21
InChIInChI=1S/C10H10N2O2/c1-2-10(9(13)14)6-3-5-4-11-12-8(5)7(6)10/h2,4,6-7H,1,3H2,(H,11,12)(H,13,14)
InChIKeyUAUPXYPGMXLIJB-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.94
Rot. Bonds2

About 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid

3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid (PubChem CID 69472155) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid.

Molecular Properties

Compound Name3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
PubChem CID69472155
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
SMILESC=CC1(C(=O)O)C2Cc3cn[nH]c3C21
InChIInChI=1S/C10H10N2O2/c1-2-10(9(13)14)6-3-5-4-11-12-8(5)7(6)10/h2,4,6-7H,1,3H2,(H,11,12)(H,13,14)
InChIKeyUAUPXYPGMXLIJB-UHFFFAOYSA-N
XLogP0.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid?
The IUPAC name of 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid (CID 69472155) is 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid.
What is the SMILES notation for 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid?
The canonical SMILES for 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid is C=CC1(C(=O)O)C2Cc3cn[nH]c3C21.
What is the InChIKey of 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid?
The InChIKey is UAUPXYPGMXLIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-10(9(13)14)6-3-5-4-11-12-8(5)7(6)10/h2,4,6-7H,1,3H2,(H,11,12)(H,13,14).
What are the key properties of 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid?
3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid is sourced from PubChem (CID 69472155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).