CID 154808105

C11H13N2Se — CID 154808105

IUPAC—
SMILES[H]/[Se]=c1\cc(C)n(C)n1-c1ccccc1
InChIInChI=1S/C11H13N2Se/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChIKeyVOOCMICTQLHQLE-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.56
Rot. Bonds1

About CID 154808105

CID 154808105 (PubChem CID 154808105) has the molecular formula C11H13N2Se and a molecular weight of 252.20 g/mol.

Molecular Properties

Compound NameCID 154808105
PubChem CID154808105
Molecular FormulaC11H13N2Se
Molecular Weight252.20 g/mol
Exact Mass253.02
IUPAC Name—
SMILES[H]/[Se]=c1\cc(C)n(C)n1-c1ccccc1
InChIInChI=1S/C11H13N2Se/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChIKeyVOOCMICTQLHQLE-UHFFFAOYSA-N
XLogP1.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 154808105?
The IUPAC name of CID 154808105 (CID 154808105) is not available.
What is the SMILES notation for CID 154808105?
The canonical SMILES for CID 154808105 is [H]/[Se]=c1\cc(C)n(C)n1-c1ccccc1.
What is the InChIKey of CID 154808105?
The InChIKey is VOOCMICTQLHQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2Se/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8,14H,1-2H3.
What are the key properties of CID 154808105?
CID 154808105 has a molecular weight of 252.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154808105 is sourced from PubChem (CID 154808105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).