CID 162782190

C8H15INO3 — CID 162782190

IUPAC—
SMILESCCC(I)C(=O)OCCN([O])CC
InChIInChI=1S/C8H15INO3/c1-3-7(9)8(11)13-6-5-10(12)4-2/h7H,3-6H2,1-2H3
InChIKeyGCNKKHKOUSFMNK-UHFFFAOYSA-N
MW300.12 g/mol
LogP1.41
Rot. Bonds6

About CID 162782190

CID 162782190 (PubChem CID 162782190) has the molecular formula C8H15INO3 and a molecular weight of 300.12 g/mol.

Molecular Properties

Compound NameCID 162782190
PubChem CID162782190
Molecular FormulaC8H15INO3
Molecular Weight300.12 g/mol
Exact Mass300.01
IUPAC Name—
SMILESCCC(I)C(=O)OCCN([O])CC
InChIInChI=1S/C8H15INO3/c1-3-7(9)8(11)13-6-5-10(12)4-2/h7H,3-6H2,1-2H3
InChIKeyGCNKKHKOUSFMNK-UHFFFAOYSA-N
XLogP1.41
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of CID 162782190?
The IUPAC name of CID 162782190 (CID 162782190) is not available.
What is the SMILES notation for CID 162782190?
The canonical SMILES for CID 162782190 is CCC(I)C(=O)OCCN([O])CC.
What is the InChIKey of CID 162782190?
The InChIKey is GCNKKHKOUSFMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15INO3/c1-3-7(9)8(11)13-6-5-10(12)4-2/h7H,3-6H2,1-2H3.
What are the key properties of CID 162782190?
CID 162782190 has a molecular weight of 300.12 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162782190 is sourced from PubChem (CID 162782190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).