3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione

C16H12INO2 — CID 135014246

IUPAC3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione
SMILESCN1C(=O)C(I)=C(c2ccccc2)C12C=CC=CC2=O
InChIInChI=1S/C16H12INO2/c1-18-15(20)14(17)13(11-7-3-2-4-8-11)16(18)10-6-5-9-12(16)19/h2-10H,1H3
InChIKeyIWDCGBXVGHIDCZ-UHFFFAOYSA-N
MW377.18 g/mol
LogP2.74
Rot. Bonds1

About 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione

3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione (PubChem CID 135014246) has the molecular formula C16H12INO2 and a molecular weight of 377.18 g/mol. Its IUPAC name is 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione.

Molecular Properties

Compound Name3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione
PubChem CID135014246
Molecular FormulaC16H12INO2
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC Name3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione
SMILESCN1C(=O)C(I)=C(c2ccccc2)C12C=CC=CC2=O
InChIInChI=1S/C16H12INO2/c1-18-15(20)14(17)13(11-7-3-2-4-8-11)16(18)10-6-5-9-12(16)19/h2-10H,1H3
InChIKeyIWDCGBXVGHIDCZ-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione 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

1-[(2S)-2-(cyclohexene-1-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 44423975
1-(1-Acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one
CID 70694191
1-Methyl-3-phenyl-1H-pyrrole-2,5-dione
CID 12585298
1-Methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 122187191
1-Methyl-3-(m-tolyl)-pyrrole-2,5-dione
CID 24971792
methyl 6-benzyl-5-oxo-5,6-dihydropyridine-1(2H)-carboxylate
CID 44413785
1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 122187189
N-benzyl-N-methyl-2-oxo-2-phenylacetamide
CID 15890511
n-Methyl-n-(2-oxo-2-phenylethyl)benzamide
CID 227317
N,N-Diethyl-2-oxo-2-phenylacetamide
CID 10998152
N-methyl-alpha-acetaminoacetophenone
CID 15482185
(3R,4S)-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101888188

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione?
The IUPAC name of 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione (CID 135014246) is 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione.
What is the SMILES notation for 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione?
The canonical SMILES for 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione is CN1C(=O)C(I)=C(c2ccccc2)C12C=CC=CC2=O.
What is the InChIKey of 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione?
The InChIKey is IWDCGBXVGHIDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2/c1-18-15(20)14(17)13(11-7-3-2-4-8-11)16(18)10-6-5-9-12(16)19/h2-10H,1H3.
What are the key properties of 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione?
3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione has a molecular weight of 377.18 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione is sourced from PubChem (CID 135014246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).