1,4-bis(oxiran-2-ylmethyl)pyridin-2-one

C11H13NO3 — CID 141483868

IUPAC1,4-bis(oxiran-2-ylmethyl)pyridin-2-one
SMILESO=c1cc(CC2CO2)ccn1CC1CO1
InChIInChI=1S/C11H13NO3/c13-11-4-8(3-9-6-14-9)1-2-12(11)5-10-7-15-10/h1-2,4,9-10H,3,5-7H2
InChIKeyHTUORFQISRFPES-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.19
Rot. Bonds4

About 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one

1,4-bis(oxiran-2-ylmethyl)pyridin-2-one (PubChem CID 141483868) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1,4-bis(oxiran-2-ylmethyl)pyridin-2-one
PubChem CID141483868
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1,4-bis(oxiran-2-ylmethyl)pyridin-2-one
SMILESO=c1cc(CC2CO2)ccn1CC1CO1
InChIInChI=1S/C11H13NO3/c13-11-4-8(3-9-6-14-9)1-2-12(11)5-10-7-15-10/h1-2,4,9-10H,3,5-7H2
InChIKeyHTUORFQISRFPES-UHFFFAOYSA-N
XLogP0.19
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.19
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 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one?
The IUPAC name of 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one (CID 141483868) is 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one is O=c1cc(CC2CO2)ccn1CC1CO1.
What is the InChIKey of 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one?
The InChIKey is HTUORFQISRFPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11-4-8(3-9-6-14-9)1-2-12(11)5-10-7-15-10/h1-2,4,9-10H,3,5-7H2.
What are the key properties of 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one?
1,4-bis(oxiran-2-ylmethyl)pyridin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(oxiran-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 141483868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).