CID 162678800

C2H8IKNOY2 — CID 162678800

IUPAC—
SMILESCC=O.I.N.[K].[Y].[Y]
InChIInChI=1S/C2H4O.HI.K.H3N.2Y/c1-2-3;;;;;/h2H,1H3;1H;;1H3;;
InChIKeyNUNNWCXCOIMQRL-UHFFFAOYSA-N
MW405.91 g/mol
LogP0.60
Rot. Bonds

About CID 162678800

CID 162678800 (PubChem CID 162678800) has the molecular formula C2H8IKNOY2 and a molecular weight of 405.91 g/mol.

Molecular Properties

Compound NameCID 162678800
PubChem CID162678800
Molecular FormulaC2H8IKNOY2
Molecular Weight405.91 g/mol
Exact Mass405.74
IUPAC Name—
SMILESCC=O.I.N.[K].[Y].[Y]
InChIInChI=1S/C2H4O.HI.K.H3N.2Y/c1-2-3;;;;;/h2H,1H3;1H;;1H3;;
InChIKeyNUNNWCXCOIMQRL-UHFFFAOYSA-N
XLogP0.60
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162678800?
The IUPAC name of CID 162678800 (CID 162678800) is not available.
What is the SMILES notation for CID 162678800?
The canonical SMILES for CID 162678800 is CC=O.I.N.[K].[Y].[Y].
What is the InChIKey of CID 162678800?
The InChIKey is NUNNWCXCOIMQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.HI.K.H3N.2Y/c1-2-3;;;;;/h2H,1H3;1H;;1H3;;.
What are the key properties of CID 162678800?
CID 162678800 has a molecular weight of 405.91 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162678800 is sourced from PubChem (CID 162678800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).