2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C15H19IN2O — CID 45074112

IUPAC2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccccc2I)CCC12CCNCC2
InChIInChI=1S/C15H19IN2O/c16-13-4-2-1-3-12(13)11-18-10-7-15(14(18)19)5-8-17-9-6-15/h1-4,17H,5-11H2
InChIKeyJERHAZMCBMBFDK-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.39
Rot. Bonds2

About 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 45074112) has the molecular formula C15H19IN2O and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID45074112
Molecular FormulaC15H19IN2O
Molecular Weight370.23 g/mol
Exact Mass370.05
IUPAC Name2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccccc2I)CCC12CCNCC2
InChIInChI=1S/C15H19IN2O/c16-13-4-2-1-3-12(13)11-18-10-7-15(14(18)19)5-8-17-9-6-15/h1-4,17H,5-11H2
InChIKeyJERHAZMCBMBFDK-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 45074112) is 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ccccc2I)CCC12CCNCC2.
What is the InChIKey of 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JERHAZMCBMBFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O/c16-13-4-2-1-3-12(13)11-18-10-7-15(14(18)19)5-8-17-9-6-15/h1-4,17H,5-11H2.
What are the key properties of 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 370.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 45074112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).