N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide

C11H10N4O2Se — CID 83192399

IUPACN-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc3c2N=[Se]=N3)CN1
InChIInChI=1S/C11H10N4O2Se/c16-9-4-6(5-12-9)11(17)13-7-2-1-3-8-10(7)15-18-14-8/h1-3,6H,4-5H2,(H,12,16)(H,13,17)
InChIKeyADJCYMBPWNGQPJ-UHFFFAOYSA-N
MW309.19 g/mol
LogP1.11
Rot. Bonds2

About N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide

N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 83192399) has the molecular formula C11H10N4O2Se and a molecular weight of 309.19 g/mol. Its IUPAC name is N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID83192399
Molecular FormulaC11H10N4O2Se
Molecular Weight309.19 g/mol
Exact Mass310.00
IUPAC NameN-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc3c2N=[Se]=N3)CN1
InChIInChI=1S/C11H10N4O2Se/c16-9-4-6(5-12-9)11(17)13-7-2-1-3-8-10(7)15-18-14-8/h1-3,6H,4-5H2,(H,12,16)(H,13,17)
InChIKeyADJCYMBPWNGQPJ-UHFFFAOYSA-N
XLogP1.11
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 83192399) is N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cccc3c2N=[Se]=N3)CN1.
What is the InChIKey of N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ADJCYMBPWNGQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2Se/c16-9-4-6(5-12-9)11(17)13-7-2-1-3-8-10(7)15-18-14-8/h1-3,6H,4-5H2,(H,12,16)(H,13,17).
What are the key properties of N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide?
N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 83192399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).