N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide

C7H12INO2 — CID 170274547

IUPACN-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide
SMILESCC(=O)CC(C)(C)NC(=O)I
InChIInChI=1S/C7H12INO2/c1-5(10)4-7(2,3)9-6(8)11/h4H2,1-3H3,(H,9,11)
InChIKeyQQTXOUXCBIABCI-UHFFFAOYSA-N
MW269.08 g/mol
LogP1.89
Rot. Bonds3

About N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide

N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide (PubChem CID 170274547) has the molecular formula C7H12INO2 and a molecular weight of 269.08 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide
PubChem CID170274547
Molecular FormulaC7H12INO2
Molecular Weight269.08 g/mol
Exact Mass268.99
IUPAC NameN-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide
SMILESCC(=O)CC(C)(C)NC(=O)I
InChIInChI=1S/C7H12INO2/c1-5(10)4-7(2,3)9-6(8)11/h4H2,1-3H3,(H,9,11)
InChIKeyQQTXOUXCBIABCI-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide?
The IUPAC name of N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide (CID 170274547) is N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide?
The canonical SMILES for N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide is CC(=O)CC(C)(C)NC(=O)I.
What is the InChIKey of N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide?
The InChIKey is QQTXOUXCBIABCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO2/c1-5(10)4-7(2,3)9-6(8)11/h4H2,1-3H3,(H,9,11).
What are the key properties of N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide?
N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide has a molecular weight of 269.08 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide is sourced from PubChem (CID 170274547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).