1-iodopropylcarbamic acid;hydroiodide

C4H9I2NO2 — CID 88765505

IUPAC1-iodopropylcarbamic acid;hydroiodide
SMILESCCC(I)NC(=O)O.I
InChIInChI=1S/C4H8INO2.HI/c1-2-3(5)6-4(7)8;/h3,6H,2H2,1H3,(H,7,8);1H
InChIKeyBCGNGHYEKVOKRF-UHFFFAOYSA-N
MW356.93 g/mol
LogP2.04
Rot. Bonds2

About 1-iodopropylcarbamic acid;hydroiodide

1-iodopropylcarbamic acid;hydroiodide (PubChem CID 88765505) has the molecular formula C4H9I2NO2 and a molecular weight of 356.93 g/mol. Its IUPAC name is 1-iodopropylcarbamic acid;hydroiodide.

Molecular Properties

Compound Name1-iodopropylcarbamic acid;hydroiodide
PubChem CID88765505
Molecular FormulaC4H9I2NO2
Molecular Weight356.93 g/mol
Exact Mass356.87
IUPAC Name1-iodopropylcarbamic acid;hydroiodide
SMILESCCC(I)NC(=O)O.I
InChIInChI=1S/C4H8INO2.HI/c1-2-3(5)6-4(7)8;/h3,6H,2H2,1H3,(H,7,8);1H
InChIKeyBCGNGHYEKVOKRF-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.93
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromopropylcarbamic acid;hydrobromide
CID 88751632
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
2-methylbutanoylcarbamic acid
CID 87928192
1-(carboxyamino)butylcarbamic acid
CID 174487694
1-iodoprop-2-enylcarbamic acid
CID 87639601
(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
[(2R)-4-iodobutan-2-yl]carbamic acid
CID 141075426
(3-methyl-1-oxopentan-2-yl)carbamic acid
CID 22368838
(1-bromo-3-methylpentyl)carbamic acid
CID 88767036
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
(1-bromo-2-ethylpentyl)carbamic acid
CID 88764800
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695

Frequently Asked Questions

What is the IUPAC name of 1-iodopropylcarbamic acid;hydroiodide?
The IUPAC name of 1-iodopropylcarbamic acid;hydroiodide (CID 88765505) is 1-iodopropylcarbamic acid;hydroiodide.
What is the SMILES notation for 1-iodopropylcarbamic acid;hydroiodide?
The canonical SMILES for 1-iodopropylcarbamic acid;hydroiodide is CCC(I)NC(=O)O.I.
What is the InChIKey of 1-iodopropylcarbamic acid;hydroiodide?
The InChIKey is BCGNGHYEKVOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO2.HI/c1-2-3(5)6-4(7)8;/h3,6H,2H2,1H3,(H,7,8);1H.
What are the key properties of 1-iodopropylcarbamic acid;hydroiodide?
1-iodopropylcarbamic acid;hydroiodide has a molecular weight of 356.93 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodopropylcarbamic acid;hydroiodide is sourced from PubChem (CID 88765505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).