CID 148658103

C12H20I2NO2- — CID 148658103

IUPAC—
SMILESCC(C)(C)C1(OC(=O)C(I)C2N[I-]2)CCCC1
InChIInChI=1S/C12H20I2NO2/c1-11(2,3)12(6-4-5-7-12)17-10(16)8(13)9-14-15-9/h8-9,15H,4-7H2,1-3H3/q-1
InChIKeyFCVUOADSIKUCGI-UHFFFAOYSA-N
MW464.11 g/mol
LogP-0.37
Rot. Bonds3

About CID 148658103

CID 148658103 (PubChem CID 148658103) has the molecular formula C12H20I2NO2- and a molecular weight of 464.11 g/mol.

Molecular Properties

Compound NameCID 148658103
PubChem CID148658103
Molecular FormulaC12H20I2NO2-
Molecular Weight464.11 g/mol
Exact Mass463.96
IUPAC Name—
SMILESCC(C)(C)C1(OC(=O)C(I)C2N[I-]2)CCCC1
InChIInChI=1S/C12H20I2NO2/c1-11(2,3)12(6-4-5-7-12)17-10(16)8(13)9-14-15-9/h8-9,15H,4-7H2,1-3H3/q-1
InChIKeyFCVUOADSIKUCGI-UHFFFAOYSA-N
XLogP-0.37
TPSA48.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.11
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 148658103?
The IUPAC name of CID 148658103 (CID 148658103) is not available.
What is the SMILES notation for CID 148658103?
The canonical SMILES for CID 148658103 is CC(C)(C)C1(OC(=O)C(I)C2N[I-]2)CCCC1.
What is the InChIKey of CID 148658103?
The InChIKey is FCVUOADSIKUCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20I2NO2/c1-11(2,3)12(6-4-5-7-12)17-10(16)8(13)9-14-15-9/h8-9,15H,4-7H2,1-3H3/q-1.
What are the key properties of CID 148658103?
CID 148658103 has a molecular weight of 464.11 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148658103 is sourced from PubChem (CID 148658103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).