1-ethylaziridin-2-one;3-methylpyridine

C10H14N2O — CID 161215351

IUPAC1-ethylaziridin-2-one;3-methylpyridine
SMILESCCN1CC1=O.Cc1cccnc1
InChIInChI=1S/C6H7N.C4H7NO/c1-6-3-2-4-7-5-6;1-2-5-3-4(5)6/h2-5H,1H3;2-3H2,1H3
InChIKeyUWUALRBIBURSER-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.24
Rot. Bonds1

About 1-ethylaziridin-2-one;3-methylpyridine

1-ethylaziridin-2-one;3-methylpyridine (PubChem CID 161215351) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-ethylaziridin-2-one;3-methylpyridine.

Molecular Properties

Compound Name1-ethylaziridin-2-one;3-methylpyridine
PubChem CID161215351
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-ethylaziridin-2-one;3-methylpyridine
SMILESCCN1CC1=O.Cc1cccnc1
InChIInChI=1S/C6H7N.C4H7NO/c1-6-3-2-4-7-5-6;1-2-5-3-4(5)6/h2-5H,1H3;2-3H2,1H3
InChIKeyUWUALRBIBURSER-UHFFFAOYSA-N
XLogP1.24
TPSA32.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethylaziridin-2-one;3-methylpyridine?
The IUPAC name of 1-ethylaziridin-2-one;3-methylpyridine (CID 161215351) is 1-ethylaziridin-2-one;3-methylpyridine.
What is the SMILES notation for 1-ethylaziridin-2-one;3-methylpyridine?
The canonical SMILES for 1-ethylaziridin-2-one;3-methylpyridine is CCN1CC1=O.Cc1cccnc1.
What is the InChIKey of 1-ethylaziridin-2-one;3-methylpyridine?
The InChIKey is UWUALRBIBURSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H7NO/c1-6-3-2-4-7-5-6;1-2-5-3-4(5)6/h2-5H,1H3;2-3H2,1H3.
What are the key properties of 1-ethylaziridin-2-one;3-methylpyridine?
1-ethylaziridin-2-one;3-methylpyridine has a molecular weight of 178.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylaziridin-2-one;3-methylpyridine is sourced from PubChem (CID 161215351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).