1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one

C13H21NO3 — CID 102651014

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)C1=CCCO1)N1CCOCC1
InChIInChI=1S/C13H21NO3/c1-3-13(2,14-6-9-16-10-7-14)12(15)11-5-4-8-17-11/h5H,3-4,6-10H2,1-2H3
InChIKeyJNDJKWVRUGYMQZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.36
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one

1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one (PubChem CID 102651014) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
PubChem CID102651014
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)C1=CCCO1)N1CCOCC1
InChIInChI=1S/C13H21NO3/c1-3-13(2,14-6-9-16-10-7-14)12(15)11-5-4-8-17-11/h5H,3-4,6-10H2,1-2H3
InChIKeyJNDJKWVRUGYMQZ-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

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 102646935
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 102646936
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102646937
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102646938
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 102646940
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 102646941
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-one
CID 102646942
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646943
2-(Diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one
CID 102651005
1-(2,3-Dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 102651007
1-(2,3-Dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 102651008

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one (CID 102651014) is 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one is CCC(C)(C(=O)C1=CCCO1)N1CCOCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The InChIKey is JNDJKWVRUGYMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-13(2,14-6-9-16-10-7-14)12(15)11-5-4-8-17-11/h5H,3-4,6-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one 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 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 102651014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).