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

C12H20N2O2 — CID 59011826

IUPAC2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone
SMILESCC1=CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2/c1-11-2-4-13(5-3-11)10-12(15)14-6-8-16-9-7-14/h2H,3-10H2,1H3
InChIKeyKJWBWAOHZRIFMO-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.50
Rot. Bonds2

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

2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone (PubChem CID 59011826) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone
PubChem CID59011826
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone
SMILESCC1=CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2/c1-11-2-4-13(5-3-11)10-12(15)14-6-8-16-9-7-14/h2H,3-10H2,1H3
InChIKeyKJWBWAOHZRIFMO-UHFFFAOYSA-N
XLogP0.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone (CID 59011826) is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone is CC1=CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is KJWBWAOHZRIFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11-2-4-13(5-3-11)10-12(15)14-6-8-16-9-7-14/h2H,3-10H2,1H3.
What are the key properties of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone?
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 224.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 59011826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).