5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one

C21H27N3O3 — CID 72838004

About 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one

5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 72838004) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 72838004
• Molecular Formula: C21H27N3O3
• Molecular Weight: 369.46 g/mol
• Exact Mass: 369.21
• IUPAC Name: 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one
• SMILES: O=C1NCC(CN2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)O1
• InChI: InChI=1S/C21H27N3O3/c25-19-13-21(16-24(19)10-4-7-17-5-2-1-3-6-17)8-11-23(12-9-21)15-18-14-22-20(26)27-18/h1-7,18H,8-16H2,(H,22,26)/b7-4+
• InChIKey: WDUOIHKYYIVVOR-QPJJXVBHSA-N
• XLogP: 2.12
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.46
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one (CID 72838004) is 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(CN2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)O1.

What is the InChIKey of 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one?

The InChIKey is WDUOIHKYYIVVOR-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-19-13-21(16-24(19)10-4-7-17-5-2-1-3-6-17)8-11-23(12-9-21)15-18-14-22-20(26)27-18/h1-7,18H,8-16H2,(H,22,26)/b7-4+.

What are the key properties of 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one?

5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 369.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72838004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).