CID 148601263

C10H16I2N2O2-2 — CID 148601263

IUPAC—
SMILESCC1(OC(=O)C2(C3N[I-]3)N[I-]2)CCCCC1
InChIInChI=1S/C10H16I2N2O2/c1-9(5-3-2-4-6-9)16-8(15)10(12-14-10)7-11-13-7/h7,13-14H,2-6H2,1H3/q-2
InChIKeyLYTOWDFEWUILSZ-UHFFFAOYSA-N
MW450.06 g/mol
LogP-5.51
Rot. Bonds3

About CID 148601263

CID 148601263 (PubChem CID 148601263) has the molecular formula C10H16I2N2O2-2 and a molecular weight of 450.06 g/mol.

Molecular Properties

Compound NameCID 148601263
PubChem CID148601263
Molecular FormulaC10H16I2N2O2-2
Molecular Weight450.06 g/mol
Exact Mass449.93
IUPAC Name—
SMILESCC1(OC(=O)C2(C3N[I-]3)N[I-]2)CCCCC1
InChIInChI=1S/C10H16I2N2O2/c1-9(5-3-2-4-6-9)16-8(15)10(12-14-10)7-11-13-7/h7,13-14H,2-6H2,1H3/q-2
InChIKeyLYTOWDFEWUILSZ-UHFFFAOYSA-N
XLogP-5.51
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.06
LogP ≤ 5-5.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 148601263?
The IUPAC name of CID 148601263 (CID 148601263) is not available.
What is the SMILES notation for CID 148601263?
The canonical SMILES for CID 148601263 is CC1(OC(=O)C2(C3N[I-]3)N[I-]2)CCCCC1.
What is the InChIKey of CID 148601263?
The InChIKey is LYTOWDFEWUILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16I2N2O2/c1-9(5-3-2-4-6-9)16-8(15)10(12-14-10)7-11-13-7/h7,13-14H,2-6H2,1H3/q-2.
What are the key properties of CID 148601263?
CID 148601263 has a molecular weight of 450.06 g/mol, XLogP of -5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148601263 is sourced from PubChem (CID 148601263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).