2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one

C11H18IN3O2 — CID 170035617

IUPAC2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one
SMILESCC(C)C(=O)N1CCNC2(CCN(I)C2=O)C1
InChIInChI=1S/C11H18IN3O2/c1-8(2)9(16)14-6-4-13-11(7-14)3-5-15(12)10(11)17/h8,13H,3-7H2,1-2H3
InChIKeyMQJGQOVFFJZOEL-UHFFFAOYSA-N
MW351.19 g/mol
LogP0.40
Rot. Bonds1

About 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one

2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one (PubChem CID 170035617) has the molecular formula C11H18IN3O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one
PubChem CID170035617
Molecular FormulaC11H18IN3O2
Molecular Weight351.19 g/mol
Exact Mass351.04
IUPAC Name2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one
SMILESCC(C)C(=O)N1CCNC2(CCN(I)C2=O)C1
InChIInChI=1S/C11H18IN3O2/c1-8(2)9(16)14-6-4-13-11(7-14)3-5-15(12)10(11)17/h8,13H,3-7H2,1-2H3
InChIKeyMQJGQOVFFJZOEL-UHFFFAOYSA-N
XLogP0.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[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

Related Compounds

9-acetyl-2-iodo-2,6,9-triazaspiro[4.5]decan-1-one
CID 170035614
2-iodo-9-methyl-2,6,9-triazaspiro[4.5]decan-1-one
CID 170035585
2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one
CID 122675593
2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one
CID 121304107
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one
CID 169318479
1-(3,3-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
CID 119141401
(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
CID 130635624
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
CID 169493333
2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one
CID 58546685
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722

Frequently Asked Questions

What is the IUPAC name of 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one?
The IUPAC name of 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one (CID 170035617) is 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one is CC(C)C(=O)N1CCNC2(CCN(I)C2=O)C1.
What is the InChIKey of 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one?
The InChIKey is MQJGQOVFFJZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O2/c1-8(2)9(16)14-6-4-13-11(7-14)3-5-15(12)10(11)17/h8,13H,3-7H2,1-2H3.
What are the key properties of 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one?
2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one has a molecular weight of 351.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one is sourced from PubChem (CID 170035617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).