CID 149385999

C14H22I2NO2- — CID 149385999

IUPAC—
SMILESO=C(OC1(C2CCCCC2)CCCC1)C(I)C1N[I-]1
InChIInChI=1S/C14H22I2NO2/c15-11(12-16-17-12)13(18)19-14(8-4-5-9-14)10-6-2-1-3-7-10/h10-12,17H,1-9H2/q-1
InChIKeyROOLVKOHCFOXCG-UHFFFAOYSA-N
MW490.14 g/mol
LogP0.16
Rot. Bonds4

About CID 149385999

CID 149385999 (PubChem CID 149385999) has the molecular formula C14H22I2NO2- and a molecular weight of 490.14 g/mol.

Molecular Properties

Compound NameCID 149385999
PubChem CID149385999
Molecular FormulaC14H22I2NO2-
Molecular Weight490.14 g/mol
Exact Mass489.97
IUPAC Name—
SMILESO=C(OC1(C2CCCCC2)CCCC1)C(I)C1N[I-]1
InChIInChI=1S/C14H22I2NO2/c15-11(12-16-17-12)13(18)19-14(8-4-5-9-14)10-6-2-1-3-7-10/h10-12,17H,1-9H2/q-1
InChIKeyROOLVKOHCFOXCG-UHFFFAOYSA-N
XLogP0.16
TPSA48.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.14
LogP ≤ 50.16
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 149385999?
The IUPAC name of CID 149385999 (CID 149385999) is not available.
What is the SMILES notation for CID 149385999?
The canonical SMILES for CID 149385999 is O=C(OC1(C2CCCCC2)CCCC1)C(I)C1N[I-]1.
What is the InChIKey of CID 149385999?
The InChIKey is ROOLVKOHCFOXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22I2NO2/c15-11(12-16-17-12)13(18)19-14(8-4-5-9-14)10-6-2-1-3-7-10/h10-12,17H,1-9H2/q-1.
What are the key properties of CID 149385999?
CID 149385999 has a molecular weight of 490.14 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149385999 is sourced from PubChem (CID 149385999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).