CID 147019941

C6H11I2N2- — CID 147019941

IUPAC—
SMILESC=CC1(C)CN(C)[I-]N1I
InChIInChI=1S/C6H11I2N2/c1-4-6(2)5-9(3)8-10(6)7/h4H,1,5H2,2-3H3/q-1
InChIKeyPZBAXNYSGRTZHA-UHFFFAOYSA-N
MW364.98 g/mol
LogP-1.55
Rot. Bonds1

About CID 147019941

CID 147019941 (PubChem CID 147019941) has the molecular formula C6H11I2N2- and a molecular weight of 364.98 g/mol.

Molecular Properties

Compound NameCID 147019941
PubChem CID147019941
Molecular FormulaC6H11I2N2-
Molecular Weight364.98 g/mol
Exact Mass364.90
IUPAC Name—
SMILESC=CC1(C)CN(C)[I-]N1I
InChIInChI=1S/C6H11I2N2/c1-4-6(2)5-9(3)8-10(6)7/h4H,1,5H2,2-3H3/q-1
InChIKeyPZBAXNYSGRTZHA-UHFFFAOYSA-N
XLogP-1.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.98
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 147019941?
The IUPAC name of CID 147019941 (CID 147019941) is not available.
What is the SMILES notation for CID 147019941?
The canonical SMILES for CID 147019941 is C=CC1(C)CN(C)[I-]N1I.
What is the InChIKey of CID 147019941?
The InChIKey is PZBAXNYSGRTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11I2N2/c1-4-6(2)5-9(3)8-10(6)7/h4H,1,5H2,2-3H3/q-1.
What are the key properties of CID 147019941?
CID 147019941 has a molecular weight of 364.98 g/mol, XLogP of -1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147019941 is sourced from PubChem (CID 147019941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).