(NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide

C8H15N3Se — CID 12007410

IUPAC(NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide
SMILESCN(C)/C=N/C(=[Se])N1CCCC1
InChIInChI=1S/C8H15N3Se/c1-10(2)7-9-8(12)11-5-3-4-6-11/h7H,3-6H2,1-2H3/b9-7+
InChIKeyUQGHCLUZYYMDCF-VQHVLOKHSA-N
MW232.19 g/mol
LogP-0.07
Rot. Bonds3

About (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide

(NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide (PubChem CID 12007410) has the molecular formula C8H15N3Se and a molecular weight of 232.19 g/mol. Its IUPAC name is (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide.

Molecular Properties

Compound Name(NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide
PubChem CID12007410
Molecular FormulaC8H15N3Se
Molecular Weight232.19 g/mol
Exact Mass233.04
IUPAC Name(NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide
SMILESCN(C)/C=N/C(=[Se])N1CCCC1
InChIInChI=1S/C8H15N3Se/c1-10(2)7-9-8(12)11-5-3-4-6-11/h7H,3-6H2,1-2H3/b9-7+
InChIKeyUQGHCLUZYYMDCF-VQHVLOKHSA-N
XLogP-0.07
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide?
The IUPAC name of (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide (CID 12007410) is (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide.
What is the SMILES notation for (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide?
The canonical SMILES for (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide is CN(C)/C=N/C(=[Se])N1CCCC1.
What is the InChIKey of (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide?
The InChIKey is UQGHCLUZYYMDCF-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N3Se/c1-10(2)7-9-8(12)11-5-3-4-6-11/h7H,3-6H2,1-2H3/b9-7+.
What are the key properties of (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide?
(NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide has a molecular weight of 232.19 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide is sourced from PubChem (CID 12007410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).