5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one

C14H24N2O3 — CID 130325131

IUPAC5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one
SMILESCCC(=O)CCN1C(=O)C(C(C)C)CC1ON1CC1
InChIInChI=1S/C14H24N2O3/c1-4-11(17)5-6-16-13(19-15-7-8-15)9-12(10(2)3)14(16)18/h10,12-13H,4-9H2,1-3H3
InChIKeyVSOJELJJTFKSPD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.43
Rot. Bonds7

About 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one

5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one (PubChem CID 130325131) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one
PubChem CID130325131
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one
SMILESCCC(=O)CCN1C(=O)C(C(C)C)CC1ON1CC1
InChIInChI=1S/C14H24N2O3/c1-4-11(17)5-6-16-13(19-15-7-8-15)9-12(10(2)3)14(16)18/h10,12-13H,4-9H2,1-3H3
InChIKeyVSOJELJJTFKSPD-UHFFFAOYSA-N
XLogP1.43
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one (CID 130325131) is 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one is CCC(=O)CCN1C(=O)C(C(C)C)CC1ON1CC1.
What is the InChIKey of 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is VSOJELJJTFKSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-11(17)5-6-16-13(19-15-7-8-15)9-12(10(2)3)14(16)18/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one?
5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aziridin-1-yloxy)-1-(3-oxopentyl)-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 130325131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).