CID 134988542

C11H14NOSe — CID 134988542

IUPAC—
SMILESCCOC(C)/N=C(\[Se])c1ccccc1
InChIInChI=1S/C11H14NOSe/c1-3-13-9(2)12-11(14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b12-11-
InChIKeyHKAPAOZCMJHOEK-QXMHVHEDSA-N
MW255.20 g/mol
LogP1.98
Rot. Bonds4

About CID 134988542

CID 134988542 (PubChem CID 134988542) has the molecular formula C11H14NOSe and a molecular weight of 255.20 g/mol.

Molecular Properties

Compound NameCID 134988542
PubChem CID134988542
Molecular FormulaC11H14NOSe
Molecular Weight255.20 g/mol
Exact Mass256.02
IUPAC Name—
SMILESCCOC(C)/N=C(\[Se])c1ccccc1
InChIInChI=1S/C11H14NOSe/c1-3-13-9(2)12-11(14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b12-11-
InChIKeyHKAPAOZCMJHOEK-QXMHVHEDSA-N
XLogP1.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134988542?
The IUPAC name of CID 134988542 (CID 134988542) is not available.
What is the SMILES notation for CID 134988542?
The canonical SMILES for CID 134988542 is CCOC(C)/N=C(\[Se])c1ccccc1.
What is the InChIKey of CID 134988542?
The InChIKey is HKAPAOZCMJHOEK-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H14NOSe/c1-3-13-9(2)12-11(14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b12-11-.
What are the key properties of CID 134988542?
CID 134988542 has a molecular weight of 255.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134988542 is sourced from PubChem (CID 134988542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).