CID 140734248

C11H19N2Se — CID 140734248

IUPAC—
SMILESC=CCN(CC=C)/C([Se])=N/CCCC
InChIInChI=1S/C11H19N2Se/c1-4-7-8-12-11(14)13(9-5-2)10-6-3/h5-6H,2-4,7-10H2,1H3/b12-11-
InChIKeyHGZDPUJMVSIJMS-QXMHVHEDSA-N
MW258.25 g/mol
LogP1.99
Rot. Bonds7

About CID 140734248

CID 140734248 (PubChem CID 140734248) has the molecular formula C11H19N2Se and a molecular weight of 258.25 g/mol.

Molecular Properties

Compound NameCID 140734248
PubChem CID140734248
Molecular FormulaC11H19N2Se
Molecular Weight258.25 g/mol
Exact Mass259.07
IUPAC Name—
SMILESC=CCN(CC=C)/C([Se])=N/CCCC
InChIInChI=1S/C11H19N2Se/c1-4-7-8-12-11(14)13(9-5-2)10-6-3/h5-6H,2-4,7-10H2,1H3/b12-11-
InChIKeyHGZDPUJMVSIJMS-QXMHVHEDSA-N
XLogP1.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140734248?
The IUPAC name of CID 140734248 (CID 140734248) is not available.
What is the SMILES notation for CID 140734248?
The canonical SMILES for CID 140734248 is C=CCN(CC=C)/C([Se])=N/CCCC.
What is the InChIKey of CID 140734248?
The InChIKey is HGZDPUJMVSIJMS-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H19N2Se/c1-4-7-8-12-11(14)13(9-5-2)10-6-3/h5-6H,2-4,7-10H2,1H3/b12-11-.
What are the key properties of CID 140734248?
CID 140734248 has a molecular weight of 258.25 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140734248 is sourced from PubChem (CID 140734248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).