CID 177161125

C6H11INO- — CID 177161125

IUPAC—
SMILESCCN1CCC[I-]C1=O
InChIInChI=1S/C6H11INO/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3/q-1
InChIKeyJVHWWGBBSLIHEE-UHFFFAOYSA-N
MW240.06 g/mol
LogP-2.08
Rot. Bonds1

About CID 177161125

CID 177161125 (PubChem CID 177161125) has the molecular formula C6H11INO- and a molecular weight of 240.06 g/mol.

Molecular Properties

Compound NameCID 177161125
PubChem CID177161125
Molecular FormulaC6H11INO-
Molecular Weight240.06 g/mol
Exact Mass239.99
IUPAC Name—
SMILESCCN1CCC[I-]C1=O
InChIInChI=1S/C6H11INO/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3/q-1
InChIKeyJVHWWGBBSLIHEE-UHFFFAOYSA-N
XLogP-2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of CID 177161125?
The IUPAC name of CID 177161125 (CID 177161125) is not available.
What is the SMILES notation for CID 177161125?
The canonical SMILES for CID 177161125 is CCN1CCC[I-]C1=O.
What is the InChIKey of CID 177161125?
The InChIKey is JVHWWGBBSLIHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11INO/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3/q-1.
What are the key properties of CID 177161125?
CID 177161125 has a molecular weight of 240.06 g/mol, XLogP of -2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177161125 is sourced from PubChem (CID 177161125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).