CID 162782195

C6H11INO3 — CID 162782195

IUPAC—
SMILESCCN([O])CCOC(=O)CI
InChIInChI=1S/C6H11INO3/c1-2-8(10)3-4-11-6(9)5-7/h2-5H2,1H3
InChIKeyFEUWXFIJNBBQGA-UHFFFAOYSA-N
MW272.06 g/mol
LogP0.63
Rot. Bonds5

About CID 162782195

CID 162782195 (PubChem CID 162782195) has the molecular formula C6H11INO3 and a molecular weight of 272.06 g/mol.

Molecular Properties

Compound NameCID 162782195
PubChem CID162782195
Molecular FormulaC6H11INO3
Molecular Weight272.06 g/mol
Exact Mass271.98
IUPAC Name—
SMILESCCN([O])CCOC(=O)CI
InChIInChI=1S/C6H11INO3/c1-2-8(10)3-4-11-6(9)5-7/h2-5H2,1H3
InChIKeyFEUWXFIJNBBQGA-UHFFFAOYSA-N
XLogP0.63
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 162782190
CID 162782190
2-[ethyl(iodo)amino]ethyl propanoate
CID 167202757
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-[ethyl(2-hydroxyethyl)amino]ethyl 3-iodopropanoate
CID 162508997
2-(diethylamino)ethyl pentanoate
CID 14795466
2-[ethyl(methyl)amino]ethyl 3-aminopropanoate
CID 89304137
2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate
CID 91507579
2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate
CID 146564672
4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383498
2-(diethylamino)ethyl 2-(1-adamantyl)acetate;iodoethane
CID 23620960
2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium
CID 169015750
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095

Frequently Asked Questions

What is the IUPAC name of CID 162782195?
The IUPAC name of CID 162782195 (CID 162782195) is not available.
What is the SMILES notation for CID 162782195?
The canonical SMILES for CID 162782195 is CCN([O])CCOC(=O)CI.
What is the InChIKey of CID 162782195?
The InChIKey is FEUWXFIJNBBQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11INO3/c1-2-8(10)3-4-11-6(9)5-7/h2-5H2,1H3.
What are the key properties of CID 162782195?
CID 162782195 has a molecular weight of 272.06 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162782195 is sourced from PubChem (CID 162782195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).