CID 147813539

C3H8IN2- — CID 147813539

IUPAC—
SMILESCN1CCN[I-]1
InChIInChI=1S/C3H8IN2/c1-6-3-2-5-4-6/h5H,2-3H2,1H3/q-1
InChIKeyRJJNJSHPUKZXKP-UHFFFAOYSA-N
MW199.01 g/mol
LogP-3.56
Rot. Bonds

About CID 147813539

CID 147813539 (PubChem CID 147813539) has the molecular formula C3H8IN2- and a molecular weight of 199.01 g/mol.

Molecular Properties

Compound NameCID 147813539
PubChem CID147813539
Molecular FormulaC3H8IN2-
Molecular Weight199.01 g/mol
Exact Mass198.97
IUPAC Name—
SMILESCN1CCN[I-]1
InChIInChI=1S/C3H8IN2/c1-6-3-2-5-4-6/h5H,2-3H2,1H3/q-1
InChIKeyRJJNJSHPUKZXKP-UHFFFAOYSA-N
XLogP-3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 5-3.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Azanide;2-azanidylethyl(methyl)azanide;iron(4+)
CID 162399254
2-Methyl-1,2,5-thiadiazolidine 1-oxide
CID 23516050
2-Methyl-1,2,5-thiadiazolidine
CID 57798923
2-Azanidylethyl(methyl)azanide;dichloroplatinum(2+)
CID 59733830
N'-iodo-N'-methylethane-1,2-diamine
CID 117791110
1-Methyl-1,3,2-diazaphospholidine
CID 141315249
2-Azanidylethyl(methyl)azanide;cobalt(2+)
CID 141815693
CID 163620689
CID 163620689
1,2-Dimethyl-1,3,2-diazagermolidine
CID 173690253
CID 173964207
CID 173964207

Frequently Asked Questions

What is the IUPAC name of CID 147813539?
The IUPAC name of CID 147813539 (CID 147813539) is not available.
What is the SMILES notation for CID 147813539?
The canonical SMILES for CID 147813539 is CN1CCN[I-]1.
What is the InChIKey of CID 147813539?
The InChIKey is RJJNJSHPUKZXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8IN2/c1-6-3-2-5-4-6/h5H,2-3H2,1H3/q-1.
What are the key properties of CID 147813539?
CID 147813539 has a molecular weight of 199.01 g/mol, XLogP of -3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147813539 is sourced from PubChem (CID 147813539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).