lithium N,N-dibenzylcarbamoselenoate

C15H14LiNOSe — CID 102135348

IUPAClithium N,N-dibenzylcarbamoselenoate
SMILESO=C([Se-])N(Cc1ccccc1)Cc1ccccc1.[Li+]
InChIInChI=1S/C15H15NOSe.Li/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1
InChIKeyLPHWDUWXUDTQTQ-UHFFFAOYSA-M
MW310.18 g/mol
LogP-0.02
Rot. Bonds4

About lithium N,N-dibenzylcarbamoselenoate

lithium N,N-dibenzylcarbamoselenoate (PubChem CID 102135348) has the molecular formula C15H14LiNOSe and a molecular weight of 310.18 g/mol. Its IUPAC name is lithium N,N-dibenzylcarbamoselenoate.

Molecular Properties

Compound Namelithium N,N-dibenzylcarbamoselenoate
PubChem CID102135348
Molecular FormulaC15H14LiNOSe
Molecular Weight310.18 g/mol
Exact Mass311.04
IUPAC Namelithium N,N-dibenzylcarbamoselenoate
SMILESO=C([Se-])N(Cc1ccccc1)Cc1ccccc1.[Li+]
InChIInChI=1S/C15H15NOSe.Li/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1
InChIKeyLPHWDUWXUDTQTQ-UHFFFAOYSA-M
XLogP-0.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 5-0.02
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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2-amino-N,N-dibenzylacetamide
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CID 101349022
CID 101349022
4-(dibenzylcarbamoyl)benzoic acid
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(111C)methyl N,N-dibenzylcarbamate
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CID 87091037
N-benzyl-N-phenacylacetamide
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Frequently Asked Questions

What is the IUPAC name of lithium N,N-dibenzylcarbamoselenoate?
The IUPAC name of lithium N,N-dibenzylcarbamoselenoate (CID 102135348) is lithium N,N-dibenzylcarbamoselenoate.
What is the SMILES notation for lithium N,N-dibenzylcarbamoselenoate?
The canonical SMILES for lithium N,N-dibenzylcarbamoselenoate is O=C([Se-])N(Cc1ccccc1)Cc1ccccc1.[Li+].
What is the InChIKey of lithium N,N-dibenzylcarbamoselenoate?
The InChIKey is LPHWDUWXUDTQTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NOSe.Li/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1.
What are the key properties of lithium N,N-dibenzylcarbamoselenoate?
lithium N,N-dibenzylcarbamoselenoate has a molecular weight of 310.18 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dibenzylcarbamoselenoate is sourced from PubChem (CID 102135348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).