1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione

C13H20N2O3 — CID 175807920

IUPAC1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione
SMILESCC1C=CCN(C(=O)CC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H20N2O3/c1-11-3-2-4-15(10-11)13(17)9-12(16)14-5-7-18-8-6-14/h2-3,11H,4-10H2,1H3
InChIKeyRZRYSFSYTKVTRT-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.27
Rot. Bonds2

About 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione

1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione (PubChem CID 175807920) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione
PubChem CID175807920
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione
SMILESCC1C=CCN(C(=O)CC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H20N2O3/c1-11-3-2-4-15(10-11)13(17)9-12(16)14-5-7-18-8-6-14/h2-3,11H,4-10H2,1H3
InChIKeyRZRYSFSYTKVTRT-UHFFFAOYSA-N
XLogP0.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione?
The IUPAC name of 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione (CID 175807920) is 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione.
What is the SMILES notation for 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione?
The canonical SMILES for 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione is CC1C=CCN(C(=O)CC(=O)N2CCOCC2)C1.
What is the InChIKey of 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione?
The InChIKey is RZRYSFSYTKVTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11-3-2-4-15(10-11)13(17)9-12(16)14-5-7-18-8-6-14/h2-3,11H,4-10H2,1H3.
What are the key properties of 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione?
1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione has a molecular weight of 252.31 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-morpholin-4-ylpropane-1,3-dione is sourced from PubChem (CID 175807920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).