8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H23FN2O3 — CID 72895701

About 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72895701) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 72895701
• Molecular Formula: C19H23FN2O3
• Molecular Weight: 346.40 g/mol
• Exact Mass: 346.17
• IUPAC Name: 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: CN1C(=O)CC(C(=O)O)C12CCN(C/C=C/c1ccc(F)cc1)CC2
• InChI: InChI=1S/C19H23FN2O3/c1-21-17(23)13-16(18(24)25)19(21)8-11-22(12-9-19)10-2-3-14-4-6-15(20)7-5-14/h2-7,16H,8-13H2,1H3,(H,24,25)/b3-2+
• InChIKey: YXIHTJRCHAHNPA-NSCUHMNNSA-N
• XLogP: 2.24
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.40
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72895701) is 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(C/C=C/c1ccc(F)cc1)CC2.

What is the InChIKey of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is YXIHTJRCHAHNPA-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-21-17(23)13-16(18(24)25)19(21)8-11-22(12-9-19)10-2-3-14-4-6-15(20)7-5-14/h2-7,16H,8-13H2,1H3,(H,24,25)/b3-2+.

What are the key properties of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 346.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72895701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).