methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate

C24H27ClN2O5 — CID 95707391

About methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 95707391) has the molecular formula C24H27ClN2O5 and a molecular weight of 458.94 g/mol. Its IUPAC name is methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

• Compound Name: methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
• PubChem CID: 95707391
• Molecular Formula: C24H27ClN2O5
• Molecular Weight: 458.94 g/mol
• Exact Mass: 458.16
• IUPAC Name: methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
• SMILES: C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2
• InChI: InChI=1S/C24H27ClN2O5/c1-3-14-31-27-22(28)15-19(23(29)30-2)24(27)10-12-26(13-11-24)16-17-8-9-21(32-17)18-6-4-5-7-20(18)25/h3-9,19H,1,10-16H2,2H3/t19-/m0/s1
• InChIKey: OQCURPWOFMFUCP-IBGZPJMESA-N
• XLogP: 4.07
• TPSA: 72.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.94
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?

The IUPAC name of methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 95707391) is methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.

What is the SMILES notation for methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?

The canonical SMILES for methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2.

What is the InChIKey of methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?

The InChIKey is OQCURPWOFMFUCP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27ClN2O5/c1-3-14-31-27-22(28)15-19(23(29)30-2)24(27)10-12-26(13-11-24)16-17-8-9-21(32-17)18-6-4-5-7-20(18)25/h3-9,19H,1,10-16H2,2H3/t19-/m0/s1.

What are the key properties of methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?

methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 458.94 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 95707391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).