4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine

C11H13NSe — CID 59565978

IUPAC4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine
SMILESC=C1NC(C)(C)c2ccccc2[Se]1
InChIInChI=1S/C11H13NSe/c1-8-12-11(2,3)9-6-4-5-7-10(9)13-8/h4-7,12H,1H2,2-3H3
InChIKeyLTQYPGAJIYCIDM-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.33
Rot. Bonds

About 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine

4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine (PubChem CID 59565978) has the molecular formula C11H13NSe and a molecular weight of 238.19 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine.

Molecular Properties

Compound Name4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine
PubChem CID59565978
Molecular FormulaC11H13NSe
Molecular Weight238.19 g/mol
Exact Mass239.02
IUPAC Name4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine
SMILESC=C1NC(C)(C)c2ccccc2[Se]1
InChIInChI=1S/C11H13NSe/c1-8-12-11(2,3)9-6-4-5-7-10(9)13-8/h4-7,12H,1H2,2-3H3
InChIKeyLTQYPGAJIYCIDM-UHFFFAOYSA-N
XLogP1.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine?
The IUPAC name of 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine (CID 59565978) is 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine.
What is the SMILES notation for 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine?
The canonical SMILES for 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine is C=C1NC(C)(C)c2ccccc2[Se]1.
What is the InChIKey of 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine?
The InChIKey is LTQYPGAJIYCIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NSe/c1-8-12-11(2,3)9-6-4-5-7-10(9)13-8/h4-7,12H,1H2,2-3H3.
What are the key properties of 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine?
4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine has a molecular weight of 238.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylidene-3H-1,3-benzoselenazine is sourced from PubChem (CID 59565978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).