N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide

C5H10INO3 — CID 89195106

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide
SMILESCC(CO)(CO)NC(=O)I
InChIInChI=1S/C5H10INO3/c1-5(2-8,3-9)7-4(6)10/h8-9H,2-3H2,1H3,(H,7,10)
InChIKeyHLMLDTPNYGVZRP-UHFFFAOYSA-N
MW259.04 g/mol
LogP-0.13
Rot. Bonds3

About N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide

N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide (PubChem CID 89195106) has the molecular formula C5H10INO3 and a molecular weight of 259.04 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide
PubChem CID89195106
Molecular FormulaC5H10INO3
Molecular Weight259.04 g/mol
Exact Mass258.97
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide
SMILESCC(CO)(CO)NC(=O)I
InChIInChI=1S/C5H10INO3/c1-5(2-8,3-9)7-4(6)10/h8-9H,2-3H2,1H3,(H,7,10)
InChIKeyHLMLDTPNYGVZRP-UHFFFAOYSA-N
XLogP-0.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.04
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

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N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide
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N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide
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N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide
CID 104520531
N-(1-hydroxy-2-methylpentan-2-yl)acetamide
CID 131204688
[1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid
CID 152749159
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
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2-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64557769
2-(tert-butylamino)-2-methylpropane-1,3-diol
CID 58959508
1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea
CID 108866090
2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid
CID 87824147

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide (CID 89195106) is N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide is CC(CO)(CO)NC(=O)I.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide?
The InChIKey is HLMLDTPNYGVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO3/c1-5(2-8,3-9)7-4(6)10/h8-9H,2-3H2,1H3,(H,7,10).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide has a molecular weight of 259.04 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide is sourced from PubChem (CID 89195106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).