3-butyl-1-ethylaziridin-2-one

C8H15NO — CID 18006250

IUPAC3-butyl-1-ethylaziridin-2-one
SMILESCCCCC1C(=O)N1CC
InChIInChI=1S/C8H15NO/c1-3-5-6-7-8(10)9(7)4-2/h7H,3-6H2,1-2H3
InChIKeyURNUKKRSOGGSMQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds4

About 3-butyl-1-ethylaziridin-2-one

3-butyl-1-ethylaziridin-2-one (PubChem CID 18006250) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-butyl-1-ethylaziridin-2-one.

Molecular Properties

Compound Name3-butyl-1-ethylaziridin-2-one
PubChem CID18006250
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-butyl-1-ethylaziridin-2-one
SMILESCCCCC1C(=O)N1CC
InChIInChI=1S/C8H15NO/c1-3-5-6-7-8(10)9(7)4-2/h7H,3-6H2,1-2H3
InChIKeyURNUKKRSOGGSMQ-UHFFFAOYSA-N
XLogP1.41
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-ethylaziridin-2-one?
The IUPAC name of 3-butyl-1-ethylaziridin-2-one (CID 18006250) is 3-butyl-1-ethylaziridin-2-one.
What is the SMILES notation for 3-butyl-1-ethylaziridin-2-one?
The canonical SMILES for 3-butyl-1-ethylaziridin-2-one is CCCCC1C(=O)N1CC.
What is the InChIKey of 3-butyl-1-ethylaziridin-2-one?
The InChIKey is URNUKKRSOGGSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-6-7-8(10)9(7)4-2/h7H,3-6H2,1-2H3.
What are the key properties of 3-butyl-1-ethylaziridin-2-one?
3-butyl-1-ethylaziridin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-ethylaziridin-2-one is sourced from PubChem (CID 18006250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).