methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate

C12H10N2O4Se — CID 51032934

IUPACmethyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
SMILESC[Se]/C(=N\C(=O)c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H10N2O4Se/c1-19-12(13-10(15)8-4-2-6-17-8)14-11(16)9-5-3-7-18-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyMUTCFYPEKZPIGE-UHFFFAOYSA-N
MW325.18 g/mol
LogP1.55
Rot. Bonds3

About methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate

methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate (PubChem CID 51032934) has the molecular formula C12H10N2O4Se and a molecular weight of 325.18 g/mol. Its IUPAC name is methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate.

Molecular Properties

Compound Namemethyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
PubChem CID51032934
Molecular FormulaC12H10N2O4Se
Molecular Weight325.18 g/mol
Exact Mass325.98
IUPAC Namemethyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
SMILESC[Se]/C(=N\C(=O)c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H10N2O4Se/c1-19-12(13-10(15)8-4-2-6-17-8)14-11(16)9-5-3-7-18-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyMUTCFYPEKZPIGE-UHFFFAOYSA-N
XLogP1.55
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate?
The IUPAC name of methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate (CID 51032934) is methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate.
What is the SMILES notation for methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate?
The canonical SMILES for methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate is C[Se]/C(=N\C(=O)c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate?
The InChIKey is MUTCFYPEKZPIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4Se/c1-19-12(13-10(15)8-4-2-6-17-8)14-11(16)9-5-3-7-18-9/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate?
methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate has a molecular weight of 325.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate is sourced from PubChem (CID 51032934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).