3-butyl-2-methylidene-1,3-benzoselenazole

C12H15NSe — CID 23558512

IUPAC3-butyl-2-methylidene-1,3-benzoselenazole
SMILESC=C1[Se]c2ccccc2N1CCCC
InChIInChI=1S/C12H15NSe/c1-3-4-9-13-10(2)14-12-8-6-5-7-11(12)13/h5-8H,2-4,9H2,1H3
InChIKeyRKOBNIWEFRHGBQ-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.11
Rot. Bonds3

About 3-butyl-2-methylidene-1,3-benzoselenazole

3-butyl-2-methylidene-1,3-benzoselenazole (PubChem CID 23558512) has the molecular formula C12H15NSe and a molecular weight of 252.22 g/mol. Its IUPAC name is 3-butyl-2-methylidene-1,3-benzoselenazole.

Molecular Properties

Compound Name3-butyl-2-methylidene-1,3-benzoselenazole
PubChem CID23558512
Molecular FormulaC12H15NSe
Molecular Weight252.22 g/mol
Exact Mass253.04
IUPAC Name3-butyl-2-methylidene-1,3-benzoselenazole
SMILESC=C1[Se]c2ccccc2N1CCCC
InChIInChI=1S/C12H15NSe/c1-3-4-9-13-10(2)14-12-8-6-5-7-11(12)13/h5-8H,2-4,9H2,1H3
InChIKeyRKOBNIWEFRHGBQ-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 177394292
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1-butyl-2,3-dihydroindole
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3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole
CID 134861371
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CID 102291930

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methylidene-1,3-benzoselenazole?
The IUPAC name of 3-butyl-2-methylidene-1,3-benzoselenazole (CID 23558512) is 3-butyl-2-methylidene-1,3-benzoselenazole.
What is the SMILES notation for 3-butyl-2-methylidene-1,3-benzoselenazole?
The canonical SMILES for 3-butyl-2-methylidene-1,3-benzoselenazole is C=C1[Se]c2ccccc2N1CCCC.
What is the InChIKey of 3-butyl-2-methylidene-1,3-benzoselenazole?
The InChIKey is RKOBNIWEFRHGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NSe/c1-3-4-9-13-10(2)14-12-8-6-5-7-11(12)13/h5-8H,2-4,9H2,1H3.
What are the key properties of 3-butyl-2-methylidene-1,3-benzoselenazole?
3-butyl-2-methylidene-1,3-benzoselenazole has a molecular weight of 252.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methylidene-1,3-benzoselenazole is sourced from PubChem (CID 23558512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).