6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one

C13H20N2O3 — CID 154969624

IUPAC6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one
SMILESC=C(OC)c1cccc(=O)n1CCOCCNC
InChIInChI=1S/C13H20N2O3/c1-11(17-3)12-5-4-6-13(16)15(12)8-10-18-9-7-14-2/h4-6,14H,1,7-10H2,2-3H3
InChIKeySCHHXBJJCISMAC-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.70
Rot. Bonds8

About 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one

6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one (PubChem CID 154969624) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one
PubChem CID154969624
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one
SMILESC=C(OC)c1cccc(=O)n1CCOCCNC
InChIInChI=1S/C13H20N2O3/c1-11(17-3)12-5-4-6-13(16)15(12)8-10-18-9-7-14-2/h4-6,14H,1,7-10H2,2-3H3
InChIKeySCHHXBJJCISMAC-UHFFFAOYSA-N
XLogP0.70
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one?
The IUPAC name of 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one (CID 154969624) is 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one?
The canonical SMILES for 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one is C=C(OC)c1cccc(=O)n1CCOCCNC.
What is the InChIKey of 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one?
The InChIKey is SCHHXBJJCISMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(17-3)12-5-4-6-13(16)15(12)8-10-18-9-7-14-2/h4-6,14H,1,7-10H2,2-3H3.
What are the key properties of 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one?
6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one has a molecular weight of 252.31 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxyethenyl)-1-[2-[2-(methylamino)ethoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 154969624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).