2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one

C11H17I2N2O- — CID 170578210

IUPAC2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESC=C(C)N1CCC2(CC1)CC(=O)N([I-]I)C2
InChIInChI=1S/C11H17I2N2O/c1-9(2)14-5-3-11(4-6-14)7-10(16)15(8-11)13-12/h1,3-8H2,2H3/q-1
InChIKeyYETAGBFUNWIPQJ-UHFFFAOYSA-N
MW447.08 g/mol
LogP-0.81
Rot. Bonds2

About 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one

2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 170578210) has the molecular formula C11H17I2N2O- and a molecular weight of 447.08 g/mol. Its IUPAC name is 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID170578210
Molecular FormulaC11H17I2N2O-
Molecular Weight447.08 g/mol
Exact Mass446.94
IUPAC Name2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESC=C(C)N1CCC2(CC1)CC(=O)N([I-]I)C2
InChIInChI=1S/C11H17I2N2O/c1-9(2)14-5-3-11(4-6-14)7-10(16)15(8-11)13-12/h1,3-8H2,2H3/q-1
InChIKeyYETAGBFUNWIPQJ-UHFFFAOYSA-N
XLogP-0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.08
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-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

8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70778379
2,8-dimethyl-2,8-diazaspiro[4.5]decan-3-one;2,7-dimethyl-2,7-diazaspiro[3.5]nonan-3-one
CID 160674259
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
CID 118294701
2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one
CID 164762663
3-fluoro-8-prop-1-en-2-yl-1-oxa-3,8-diazaspiro[4.5]decane
CID 178034055
tert-butyl 2-(1,1-dioxo-1-benzothiophen-5-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 121483410
6-but-1-en-2-yl-6-azaspiro[2.5]octane
CID 156718709
8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70761976
2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687382
8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70728690
2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70773830
8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70754635

Frequently Asked Questions

What is the IUPAC name of 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one (CID 170578210) is 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one is C=C(C)N1CCC2(CC1)CC(=O)N([I-]I)C2.
What is the InChIKey of 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YETAGBFUNWIPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17I2N2O/c1-9(2)14-5-3-11(4-6-14)7-10(16)15(8-11)13-12/h1,3-8H2,2H3/q-1.
What are the key properties of 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one?
2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 447.08 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoiodanuidyl-8-prop-1-en-2-yl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 170578210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).