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

C12H19NO3 — CID 102646960

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C12H19NO3/c1-2-13-6-8-16-11(9-13)12(14)10-5-3-4-7-15-10/h5,11H,2-4,6-9H2,1H3
InChIKeyLTIAVVNAZWYPSC-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.97
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone (PubChem CID 102646960) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone
PubChem CID102646960
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C12H19NO3/c1-2-13-6-8-16-11(9-13)12(14)10-5-3-4-7-15-10/h5,11H,2-4,6-9H2,1H3
InChIKeyLTIAVVNAZWYPSC-UHFFFAOYSA-N
XLogP0.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-propylmorpholin-2-yl)methanone
CID 102646961
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-ethylmorpholin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone (CID 102646960) is 3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone is CCN1CCOC(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone?
The InChIKey is LTIAVVNAZWYPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-13-6-8-16-11(9-13)12(14)10-5-3-4-7-15-10/h5,11H,2-4,6-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone has a molecular weight of 225.29 g/mol, XLogP of 0.97, 3 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-ethylmorpholin-2-yl)methanone is sourced from PubChem (CID 102646960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).