N-(dimethylaminomethylidene)morpholine-4-carboselenoamide

C8H15N3OSe — CID 73176000

IUPACN-(dimethylaminomethylidene)morpholine-4-carboselenoamide
SMILESCN(C)C=NC(=[Se])N1CCOCC1
InChIInChI=1S/C8H15N3OSe/c1-10(2)7-9-8(13)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3
InChIKeyUARJEQWGKVVNPE-UHFFFAOYSA-N
MW248.19 g/mol
LogP-0.84
Rot. Bonds3

About N-(dimethylaminomethylidene)morpholine-4-carboselenoamide

N-(dimethylaminomethylidene)morpholine-4-carboselenoamide (PubChem CID 73176000) has the molecular formula C8H15N3OSe and a molecular weight of 248.19 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)morpholine-4-carboselenoamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)morpholine-4-carboselenoamide
PubChem CID73176000
Molecular FormulaC8H15N3OSe
Molecular Weight248.19 g/mol
Exact Mass249.04
IUPAC NameN-(dimethylaminomethylidene)morpholine-4-carboselenoamide
SMILESCN(C)C=NC(=[Se])N1CCOCC1
InChIInChI=1S/C8H15N3OSe/c1-10(2)7-9-8(13)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3
InChIKeyUARJEQWGKVVNPE-UHFFFAOYSA-N
XLogP-0.84
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(dimethylaminomethylidene)morpholine-4-carboselenoamide?
The IUPAC name of N-(dimethylaminomethylidene)morpholine-4-carboselenoamide (CID 73176000) is N-(dimethylaminomethylidene)morpholine-4-carboselenoamide.
What is the SMILES notation for N-(dimethylaminomethylidene)morpholine-4-carboselenoamide?
The canonical SMILES for N-(dimethylaminomethylidene)morpholine-4-carboselenoamide is CN(C)C=NC(=[Se])N1CCOCC1.
What is the InChIKey of N-(dimethylaminomethylidene)morpholine-4-carboselenoamide?
The InChIKey is UARJEQWGKVVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OSe/c1-10(2)7-9-8(13)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3.
What are the key properties of N-(dimethylaminomethylidene)morpholine-4-carboselenoamide?
N-(dimethylaminomethylidene)morpholine-4-carboselenoamide has a molecular weight of 248.19 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)morpholine-4-carboselenoamide is sourced from PubChem (CID 73176000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).