3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone

C13H21NO3 — CID 102646961

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H21NO3/c1-2-6-14-7-9-17-12(10-14)13(15)11-5-3-4-8-16-11/h5,12H,2-4,6-10H2,1H3
InChIKeyYZEPLYUESNMUAG-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.36
Rot. Bonds4

About 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone (PubChem CID 102646961) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone
PubChem CID102646961
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H21NO3/c1-2-6-14-7-9-17-12(10-14)13(15)11-5-3-4-8-16-11/h5,12H,2-4,6-10H2,1H3
InChIKeyYZEPLYUESNMUAG-UHFFFAOYSA-N
XLogP1.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dimethoxy-5-methyl-6-morpholinomethyl-1,4-benzoquinone
CID 13518542
ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
CID 162740825
3-Methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-one
CID 79189830
1-(4-Ethylmorpholin-2-yl)-3-methylbut-2-en-1-one
CID 79667262
3-Methyl-1-(4-propylmorpholin-2-yl)but-2-en-1-one
CID 79669383
2-Methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one
CID 82064668
3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102646950
3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone
CID 102646951
3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone
CID 102646960
3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone
CID 102646962
3,4-dihydro-2H-pyran-6-yl(morpholin-2-yl)methanone
CID 102648319
3-(Diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
CID 102651026

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone (CID 102646961) is 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone?
The InChIKey is YZEPLYUESNMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-6-14-7-9-17-12(10-14)13(15)11-5-3-4-8-16-11/h5,12H,2-4,6-10H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone has a molecular weight of 239.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 102646961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).