1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone

C15H14N2O — CID 2765745

IUPAC1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC2c2ccncc2)cc1
InChIInChI=1S/C15H14N2O/c1-11(18)12-2-4-14(5-3-12)17-10-15(17)13-6-8-16-9-7-13/h2-9,15H,10H2,1H3
InChIKeyNPKWZPWCVIAXLF-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.85
Rot. Bonds3

About 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone

1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone (PubChem CID 2765745) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone
PubChem CID2765745
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC2c2ccncc2)cc1
InChIInChI=1S/C15H14N2O/c1-11(18)12-2-4-14(5-3-12)17-10-15(17)13-6-8-16-9-7-13/h2-9,15H,10H2,1H3
InChIKeyNPKWZPWCVIAXLF-UHFFFAOYSA-N
XLogP2.85
TPSA32.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone (CID 2765745) is 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CC2c2ccncc2)cc1.
What is the InChIKey of 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone?
The InChIKey is NPKWZPWCVIAXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11(18)12-2-4-14(5-3-12)17-10-15(17)13-6-8-16-9-7-13/h2-9,15H,10H2,1H3.
What are the key properties of 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone?
1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone has a molecular weight of 238.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-4-ylaziridin-1-yl)phenyl]ethanone is sourced from PubChem (CID 2765745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).