2-methylidene-1-(4-phenylselanylbutyl)aziridine

C13H17NSe — CID 101199408

IUPAC2-methylidene-1-(4-phenylselanylbutyl)aziridine
SMILESC=C1CN1CCCC[Se]c1ccccc1
InChIInChI=1S/C13H17NSe/c1-12-11-14(12)9-5-6-10-15-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2
InChIKeyWHICCKXMAXNCLS-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.04
Rot. Bonds6

About 2-methylidene-1-(4-phenylselanylbutyl)aziridine

2-methylidene-1-(4-phenylselanylbutyl)aziridine (PubChem CID 101199408) has the molecular formula C13H17NSe and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-methylidene-1-(4-phenylselanylbutyl)aziridine.

Molecular Properties

Compound Name2-methylidene-1-(4-phenylselanylbutyl)aziridine
PubChem CID101199408
Molecular FormulaC13H17NSe
Molecular Weight266.25 g/mol
Exact Mass267.05
IUPAC Name2-methylidene-1-(4-phenylselanylbutyl)aziridine
SMILESC=C1CN1CCCC[Se]c1ccccc1
InChIInChI=1S/C13H17NSe/c1-12-11-14(12)9-5-6-10-15-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2
InChIKeyWHICCKXMAXNCLS-UHFFFAOYSA-N
XLogP2.04
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-(4-phenylselanylbutyl)aziridine?
The IUPAC name of 2-methylidene-1-(4-phenylselanylbutyl)aziridine (CID 101199408) is 2-methylidene-1-(4-phenylselanylbutyl)aziridine.
What is the SMILES notation for 2-methylidene-1-(4-phenylselanylbutyl)aziridine?
The canonical SMILES for 2-methylidene-1-(4-phenylselanylbutyl)aziridine is C=C1CN1CCCC[Se]c1ccccc1.
What is the InChIKey of 2-methylidene-1-(4-phenylselanylbutyl)aziridine?
The InChIKey is WHICCKXMAXNCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NSe/c1-12-11-14(12)9-5-6-10-15-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2.
What are the key properties of 2-methylidene-1-(4-phenylselanylbutyl)aziridine?
2-methylidene-1-(4-phenylselanylbutyl)aziridine has a molecular weight of 266.25 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-(4-phenylselanylbutyl)aziridine is sourced from PubChem (CID 101199408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).