CID 148734480

C10H16I2NO2- — CID 148734480

IUPAC—
SMILESCCC1(OC(=O)C(I)C2N[I-]2)CCCC1
InChIInChI=1S/C10H16I2NO2/c1-2-10(5-3-4-6-10)15-9(14)7(11)8-12-13-8/h7-8,13H,2-6H2,1H3/q-1
InChIKeyHMNYEDKWQVIEQX-UHFFFAOYSA-N
MW436.05 g/mol
LogP-1.01
Rot. Bonds4

About CID 148734480

CID 148734480 (PubChem CID 148734480) has the molecular formula C10H16I2NO2- and a molecular weight of 436.05 g/mol.

Molecular Properties

Compound NameCID 148734480
PubChem CID148734480
Molecular FormulaC10H16I2NO2-
Molecular Weight436.05 g/mol
Exact Mass435.93
IUPAC Name—
SMILESCCC1(OC(=O)C(I)C2N[I-]2)CCCC1
InChIInChI=1S/C10H16I2NO2/c1-2-10(5-3-4-6-10)15-9(14)7(11)8-12-13-8/h7-8,13H,2-6H2,1H3/q-1
InChIKeyHMNYEDKWQVIEQX-UHFFFAOYSA-N
XLogP-1.01
TPSA48.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.05
LogP ≤ 5-1.01
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'}

Analyze CID 148734480 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Methylcyclopentyl) 3-aminopropanoate
CID 21016088
Ethane;(1-ethylcyclopentyl) 3-amino-2-methylpropanoate
CID 144228867
CID 147019826
CID 147019826
CID 147112064
CID 147112064
CID 147526828
CID 147526828
CID 148552213
CID 148552213
CID 148610976
CID 148610976
CID 148658103
CID 148658103
CID 148742691
CID 148742691
CID 148909633
CID 148909633
CID 149339535
CID 149339535
CID 149347961
CID 149347961

Frequently Asked Questions

What is the IUPAC name of CID 148734480?
The IUPAC name of CID 148734480 (CID 148734480) is not available.
What is the SMILES notation for CID 148734480?
The canonical SMILES for CID 148734480 is CCC1(OC(=O)C(I)C2N[I-]2)CCCC1.
What is the InChIKey of CID 148734480?
The InChIKey is HMNYEDKWQVIEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16I2NO2/c1-2-10(5-3-4-6-10)15-9(14)7(11)8-12-13-8/h7-8,13H,2-6H2,1H3/q-1.
What are the key properties of CID 148734480?
CID 148734480 has a molecular weight of 436.05 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148734480 is sourced from PubChem (CID 148734480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).