N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide

C14H11NOSe — CID 88509492

IUPACN-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2c1[Se]2
InChIInChI=1S/C14H11NOSe/c16-14(11-7-4-8-12-13(11)17-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
InChIKeyOGXNGDOLDIZFBY-UHFFFAOYSA-N
MW288.21 g/mol
LogP0.58
Rot. Bonds3

About N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide

N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide (PubChem CID 88509492) has the molecular formula C14H11NOSe and a molecular weight of 288.21 g/mol. Its IUPAC name is N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide
PubChem CID88509492
Molecular FormulaC14H11NOSe
Molecular Weight288.21 g/mol
Exact Mass289.00
IUPAC NameN-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2c1[Se]2
InChIInChI=1S/C14H11NOSe/c16-14(11-7-4-8-12-13(11)17-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
InChIKeyOGXNGDOLDIZFBY-UHFFFAOYSA-N
XLogP0.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide?
The IUPAC name of N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide (CID 88509492) is N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide.
What is the SMILES notation for N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide?
The canonical SMILES for N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide is O=C(NCc1ccccc1)c1cccc2c1[Se]2.
What is the InChIKey of N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide?
The InChIKey is OGXNGDOLDIZFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOSe/c16-14(11-7-4-8-12-13(11)17-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16).
What are the key properties of N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide?
N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide has a molecular weight of 288.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide is sourced from PubChem (CID 88509492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).