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

C14H12N2O2 — CID 69063324

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

(2R,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid (PubChem CID 69063324) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
• PubChem CID: 69063324
• Molecular Formula: C14H12N2O2
• Molecular Weight: 240.26 g/mol
• Exact Mass: 240.09
• IUPAC Name: (2R,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
• SMILES: O=C(O)c1n[nH]c2c1C[C@H]1C(c3ccccc3)[C@H]21
• InChI: InChI=1S/C14H12N2O2/c17-14(18)13-9-6-8-10(7-4-2-1-3-5-7)11(8)12(9)15-16-13/h1-5,8,10-11H,6H2,(H,15,16)(H,17,18)/t8-,10?,11+/m0/s1
• InChIKey: HJVDLDUXOXOQJX-UMYMBVSISA-N
• XLogP: 2.16
• TPSA: 65.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.26
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (2R,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid (CID 69063324) is (2R,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid.

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

The canonical SMILES for (2R,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid is O=C(O)c1n[nH]c2c1C[C@H]1C(c3ccccc3)[C@H]21.

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

The InChIKey is HJVDLDUXOXOQJX-UMYMBVSISA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(18)13-9-6-8-10(7-4-2-1-3-5-7)11(8)12(9)15-16-13/h1-5,8,10-11H,6H2,(H,15,16)(H,17,18)/t8-,10?,11+/m0/s1.

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

(2R,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid is sourced from PubChem (CID 69063324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).