CID 148922193

C5H11IN- — CID 148922193

IUPAC—
SMILESCNC1(C)C[I-]C1
InChIInChI=1S/C5H11IN/c1-5(7-2)3-6-4-5/h7H,3-4H2,1-2H3/q-1
InChIKeyHYCGOJFQWXLILM-UHFFFAOYSA-N
MW212.05 g/mol
LogP-2.93
Rot. Bonds1

About CID 148922193

CID 148922193 (PubChem CID 148922193) has the molecular formula C5H11IN- and a molecular weight of 212.05 g/mol.

Molecular Properties

Compound NameCID 148922193
PubChem CID148922193
Molecular FormulaC5H11IN-
Molecular Weight212.05 g/mol
Exact Mass211.99
IUPAC Name—
SMILESCNC1(C)C[I-]C1
InChIInChI=1S/C5H11IN/c1-5(7-2)3-6-4-5/h7H,3-4H2,1-2H3/q-1
InChIKeyHYCGOJFQWXLILM-UHFFFAOYSA-N
XLogP-2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 5-2.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 148922193?
The IUPAC name of CID 148922193 (CID 148922193) is not available.
What is the SMILES notation for CID 148922193?
The canonical SMILES for CID 148922193 is CNC1(C)C[I-]C1.
What is the InChIKey of CID 148922193?
The InChIKey is HYCGOJFQWXLILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IN/c1-5(7-2)3-6-4-5/h7H,3-4H2,1-2H3/q-1.
What are the key properties of CID 148922193?
CID 148922193 has a molecular weight of 212.05 g/mol, XLogP of -2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148922193 is sourced from PubChem (CID 148922193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).