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'}

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Related Compounds

N-(2-propyltetrazol-5-yl)furan-2-carboxamide
CID 894157
N-[2-(2-furoylamino)-1-methylethyl]-2-furamide
CID 2837020
N-(furan-2-ylmethyl)-5-methylfuran-2-carboxamide
CID 897187
N-[2-(furan-2-carbonylamino)ethyl]furan-2-carboxamide
CID 1899839
N-(Aminocarbonyl)-2-furancarboxamide
CID 73100
Furan-2-carboxylic acid (1-carbamoyl-2-furan-2-yl-vinyl)-amide
CID 775894
Methyl 2-(2-furoylamino)-3-(2-furyl)acrylate
CID 2179135
CID 145982208
CID 145982208
N-(2-ethyltetrazol-5-yl)furan-2-carboxamide
CID 1091684
N-{2-(2-furyl)-1-[(methylamino)carbonyl]vinyl}-2-furamide
CID 5408116
methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate
CID 51032933
benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
CID 51032935

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).