8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one

C21H26N4O — CID 72908532

About 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one

8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72908532) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 72908532
• Molecular Formula: C21H26N4O
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.21
• IUPAC Name: 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: O=C1CC2(CCN(Cc3cnc[nH]3)CC2)CN1C/C=C/c1ccccc1
• InChI: InChI=1S/C21H26N4O/c26-20-13-21(8-11-24(12-9-21)15-19-14-22-17-23-19)16-25(20)10-4-7-18-5-2-1-3-6-18/h1-7,14,17H,8-13,15-16H2,(H,22,23)/b7-4+
• InChIKey: VDSJVSHKQMXLAX-QPJJXVBHSA-N
• XLogP: 2.94
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72908532) is 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(Cc3cnc[nH]3)CC2)CN1C/C=C/c1ccccc1.

What is the InChIKey of 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is VDSJVSHKQMXLAX-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20-13-21(8-11-24(12-9-21)15-19-14-22-17-23-19)16-25(20)10-4-7-18-5-2-1-3-6-18/h1-7,14,17H,8-13,15-16H2,(H,22,23)/b7-4+.

What are the key properties of 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 350.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72908532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).