3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid

C10H10N2O2 — CID 69472156

IUPAC3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid
SMILESC=CC1C2Cc3cn[nH]c3C12C(=O)O
InChIInChI=1S/C10H10N2O2/c1-2-6-7-3-5-4-11-12-8(5)10(6,7)9(13)14/h2,4,6-7H,1,3H2,(H,11,12)(H,13,14)
InChIKeyAGEIAMDIRDUHEC-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.72
Rot. Bonds2

About 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid

3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid (PubChem CID 69472156) 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-2-carboxylic acid.

Molecular Properties

Compound Name3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid
PubChem CID69472156
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-2-carboxylic acid
SMILESC=CC1C2Cc3cn[nH]c3C12C(=O)O
InChIInChI=1S/C10H10N2O2/c1-2-6-7-3-5-4-11-12-8(5)10(6,7)9(13)14/h2,4,6-7H,1,3H2,(H,11,12)(H,13,14)
InChIKeyAGEIAMDIRDUHEC-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid?
The IUPAC name of 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid (CID 69472156) is 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid.
What is the SMILES notation for 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid?
The canonical SMILES for 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid is C=CC1C2Cc3cn[nH]c3C12C(=O)O.
What is the InChIKey of 3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid?
The InChIKey is AGEIAMDIRDUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-6-7-3-5-4-11-12-8(5)10(6,7)9(13)14/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-2-carboxylic acid?
3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 0.72, 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-2-carboxylic acid is sourced from PubChem (CID 69472156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).