2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one

C9H11IN2O3 — CID 167003347

IUPAC2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one
SMILESCC(=O)N1CC2(C1)OC(I)=C(C)NC2=O
InChIInChI=1S/C9H11IN2O3/c1-5-7(10)15-9(8(14)11-5)3-12(4-9)6(2)13/h3-4H2,1-2H3,(H,11,14)
InChIKeySUFQIDGLOQVKHP-UHFFFAOYSA-N
MW322.10 g/mol
LogP0.36
Rot. Bonds

About 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one

2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one (PubChem CID 167003347) has the molecular formula C9H11IN2O3 and a molecular weight of 322.10 g/mol. Its IUPAC name is 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one.

Molecular Properties

Compound Name2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one
PubChem CID167003347
Molecular FormulaC9H11IN2O3
Molecular Weight322.10 g/mol
Exact Mass321.98
IUPAC Name2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one
SMILESCC(=O)N1CC2(C1)OC(I)=C(C)NC2=O
InChIInChI=1S/C9H11IN2O3/c1-5-7(10)15-9(8(14)11-5)3-12(4-9)6(2)13/h3-4H2,1-2H3,(H,11,14)
InChIKeySUFQIDGLOQVKHP-UHFFFAOYSA-N
XLogP0.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one?
The IUPAC name of 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one (CID 167003347) is 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one.
What is the SMILES notation for 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one?
The canonical SMILES for 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one is CC(=O)N1CC2(C1)OC(I)=C(C)NC2=O.
What is the InChIKey of 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one?
The InChIKey is SUFQIDGLOQVKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O3/c1-5-7(10)15-9(8(14)11-5)3-12(4-9)6(2)13/h3-4H2,1-2H3,(H,11,14).
What are the key properties of 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one?
2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one has a molecular weight of 322.10 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one is sourced from PubChem (CID 167003347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).