CID 101460494

C11H14ClN2Se — CID 101460494

IUPAC—
SMILESCCN(CC)/C([Se])=N/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN2Se/c1-3-14(4-2)11(15)13-10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3/b13-11-
InChIKeyXGSRFTIDSQHDBW-QBFSEMIESA-N
MW288.66 g/mol
LogP2.84
Rot. Bonds3

About CID 101460494

CID 101460494 (PubChem CID 101460494) has the molecular formula C11H14ClN2Se and a molecular weight of 288.66 g/mol.

Molecular Properties

Compound NameCID 101460494
PubChem CID101460494
Molecular FormulaC11H14ClN2Se
Molecular Weight288.66 g/mol
Exact Mass289.00
IUPAC Name—
SMILESCCN(CC)/C([Se])=N/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN2Se/c1-3-14(4-2)11(15)13-10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3/b13-11-
InChIKeyXGSRFTIDSQHDBW-QBFSEMIESA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 52.84
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of CID 101460494?
The IUPAC name of CID 101460494 (CID 101460494) is not available.
What is the SMILES notation for CID 101460494?
The canonical SMILES for CID 101460494 is CCN(CC)/C([Se])=N/c1ccc(Cl)cc1.
What is the InChIKey of CID 101460494?
The InChIKey is XGSRFTIDSQHDBW-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14ClN2Se/c1-3-14(4-2)11(15)13-10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3/b13-11-.
What are the key properties of CID 101460494?
CID 101460494 has a molecular weight of 288.66 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101460494 is sourced from PubChem (CID 101460494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).