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

C13H21NO3 — CID 102646962

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone
SMILESCC(C)N1CCOC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H21NO3/c1-10(2)14-6-8-17-12(9-14)13(15)11-5-3-4-7-16-11/h5,10,12H,3-4,6-9H2,1-2H3
InChIKeyPMBVCHYOPATGTC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.36
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone (PubChem CID 102646962) 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-propan-2-ylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone
PubChem CID102646962
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone
SMILESCC(C)N1CCOC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H21NO3/c1-10(2)14-6-8-17-12(9-14)13(15)11-5-3-4-7-16-11/h5,10,12H,3-4,6-9H2,1-2H3
InChIKeyPMBVCHYOPATGTC-UHFFFAOYSA-N
XLogP1.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

3-Methyl-1-(4-propan-2-ylmorpholin-2-yl)but-2-en-1-one
CID 79658149
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-propylmorpholin-2-yl)methanone
CID 102646961
3,4-dihydro-2H-pyran-6-yl(morpholin-2-yl)methanone
CID 102648319
2,3-Dihydrofuran-5-yl-(4-methylmorpholin-2-yl)methanone
CID 102651027
2,3-Dihydrofuran-5-yl-(4-ethylmorpholin-2-yl)methanone
CID 102651037
2,3-Dihydrofuran-5-yl-(4-propylmorpholin-2-yl)methanone
CID 102651038
2,3-Dihydrofuran-5-yl-(4-propan-2-ylmorpholin-2-yl)methanone
CID 102651039

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone (CID 102646962) is 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone is CC(C)N1CCOC(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone?
The InChIKey is PMBVCHYOPATGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(2)14-6-8-17-12(9-14)13(15)11-5-3-4-7-16-11/h5,10,12H,3-4,6-9H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone has a molecular weight of 239.31 g/mol, XLogP of 1.36, 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-propan-2-ylmorpholin-2-yl)methanone is sourced from PubChem (CID 102646962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).