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

C11H14N2O2 — CID 11535799

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

3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid (PubChem CID 11535799) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
• PubChem CID: 11535799
• Molecular Formula: C11H14N2O2
• Molecular Weight: 206.24 g/mol
• Exact Mass: 206.11
• IUPAC Name: 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
• SMILES: CC(C)C1C2Cc3c(C(=O)O)n[nH]c3C21
• InChI: InChI=1S/C11H14N2O2/c1-4(2)7-5-3-6-9(8(5)7)12-13-10(6)11(14)15/h4-5,7-8H,3H2,1-2H3,(H,12,13)(H,14,15)
• InChIKey: ZAKPZERPWYRHOO-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 65.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.24
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid?

The IUPAC name of 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid (CID 11535799) is 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid.

What is the SMILES notation for 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid?

The canonical SMILES for 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid is CC(C)C1C2Cc3c(C(=O)O)n[nH]c3C21.

What is the InChIKey of 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid?

The InChIKey is ZAKPZERPWYRHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4(2)7-5-3-6-9(8(5)7)12-13-10(6)11(14)15/h4-5,7-8H,3H2,1-2H3,(H,12,13)(H,14,15).

What are the key properties of 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid?

3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid is sourced from PubChem (CID 11535799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).