CID 135008888

C11H14ClN2Se — CID 135008888

IUPAC—
SMILESCC(C)(C)/N=C(\[Se])Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN2Se/c1-11(2,3)14-10(15)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyOBBYLGKJIOXHNA-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.07
Rot. Bonds1

About CID 135008888

CID 135008888 (PubChem CID 135008888) has the molecular formula C11H14ClN2Se and a molecular weight of 288.66 g/mol.

Molecular Properties

Compound NameCID 135008888
PubChem CID135008888
Molecular FormulaC11H14ClN2Se
Molecular Weight288.66 g/mol
Exact Mass289.00
IUPAC Name—
SMILESCC(C)(C)/N=C(\[Se])Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN2Se/c1-11(2,3)14-10(15)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyOBBYLGKJIOXHNA-UHFFFAOYSA-N
XLogP3.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 135008888?
The IUPAC name of CID 135008888 (CID 135008888) is not available.
What is the SMILES notation for CID 135008888?
The canonical SMILES for CID 135008888 is CC(C)(C)/N=C(\[Se])Nc1ccc(Cl)cc1.
What is the InChIKey of CID 135008888?
The InChIKey is OBBYLGKJIOXHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN2Se/c1-11(2,3)14-10(15)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14).
What are the key properties of CID 135008888?
CID 135008888 has a molecular weight of 288.66 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135008888 is sourced from PubChem (CID 135008888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).