3-butyl-1-propylaziridin-2-one

C9H17NO — CID 18006246

IUPAC3-butyl-1-propylaziridin-2-one
SMILESCCCCC1C(=O)N1CCC
InChIInChI=1S/C9H17NO/c1-3-5-6-8-9(11)10(8)7-4-2/h8H,3-7H2,1-2H3
InChIKeyYASFWLFWQAUUBA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.80
Rot. Bonds5

About 3-butyl-1-propylaziridin-2-one

3-butyl-1-propylaziridin-2-one (PubChem CID 18006246) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-butyl-1-propylaziridin-2-one.

Molecular Properties

Compound Name3-butyl-1-propylaziridin-2-one
PubChem CID18006246
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-butyl-1-propylaziridin-2-one
SMILESCCCCC1C(=O)N1CCC
InChIInChI=1S/C9H17NO/c1-3-5-6-8-9(11)10(8)7-4-2/h8H,3-7H2,1-2H3
InChIKeyYASFWLFWQAUUBA-UHFFFAOYSA-N
XLogP1.80
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.80
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-propylaziridin-2-one?
The IUPAC name of 3-butyl-1-propylaziridin-2-one (CID 18006246) is 3-butyl-1-propylaziridin-2-one.
What is the SMILES notation for 3-butyl-1-propylaziridin-2-one?
The canonical SMILES for 3-butyl-1-propylaziridin-2-one is CCCCC1C(=O)N1CCC.
What is the InChIKey of 3-butyl-1-propylaziridin-2-one?
The InChIKey is YASFWLFWQAUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-6-8-9(11)10(8)7-4-2/h8H,3-7H2,1-2H3.
What are the key properties of 3-butyl-1-propylaziridin-2-one?
3-butyl-1-propylaziridin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-propylaziridin-2-one is sourced from PubChem (CID 18006246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).