2-methylidene-1-(3-phenylselanylpropyl)aziridine

C12H15NSe — CID 11459400

IUPAC2-methylidene-1-(3-phenylselanylpropyl)aziridine
SMILESC=C1CN1CCC[Se]c1ccccc1
InChIInChI=1S/C12H15NSe/c1-11-10-13(11)8-5-9-14-12-6-3-2-4-7-12/h2-4,6-7H,1,5,8-10H2
InChIKeyPWMIYCVVATWWNC-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.65
Rot. Bonds5

About 2-methylidene-1-(3-phenylselanylpropyl)aziridine

2-methylidene-1-(3-phenylselanylpropyl)aziridine (PubChem CID 11459400) has the molecular formula C12H15NSe and a molecular weight of 252.22 g/mol. Its IUPAC name is 2-methylidene-1-(3-phenylselanylpropyl)aziridine.

Molecular Properties

Compound Name2-methylidene-1-(3-phenylselanylpropyl)aziridine
PubChem CID11459400
Molecular FormulaC12H15NSe
Molecular Weight252.22 g/mol
Exact Mass253.04
IUPAC Name2-methylidene-1-(3-phenylselanylpropyl)aziridine
SMILESC=C1CN1CCC[Se]c1ccccc1
InChIInChI=1S/C12H15NSe/c1-11-10-13(11)8-5-9-14-12-6-3-2-4-7-12/h2-4,6-7H,1,5,8-10H2
InChIKeyPWMIYCVVATWWNC-UHFFFAOYSA-N
XLogP1.65
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.65
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-(3-phenylselanylpropyl)aziridine?
The IUPAC name of 2-methylidene-1-(3-phenylselanylpropyl)aziridine (CID 11459400) is 2-methylidene-1-(3-phenylselanylpropyl)aziridine.
What is the SMILES notation for 2-methylidene-1-(3-phenylselanylpropyl)aziridine?
The canonical SMILES for 2-methylidene-1-(3-phenylselanylpropyl)aziridine is C=C1CN1CCC[Se]c1ccccc1.
What is the InChIKey of 2-methylidene-1-(3-phenylselanylpropyl)aziridine?
The InChIKey is PWMIYCVVATWWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NSe/c1-11-10-13(11)8-5-9-14-12-6-3-2-4-7-12/h2-4,6-7H,1,5,8-10H2.
What are the key properties of 2-methylidene-1-(3-phenylselanylpropyl)aziridine?
2-methylidene-1-(3-phenylselanylpropyl)aziridine has a molecular weight of 252.22 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-(3-phenylselanylpropyl)aziridine is sourced from PubChem (CID 11459400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).