1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one

C12H19NO2 — CID 102651006

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCO1)N1CCCC1
InChIInChI=1S/C12H19NO2/c1-12(2,13-7-3-4-8-13)11(14)10-6-5-9-15-10/h6H,3-5,7-9H2,1-2H3
InChIKeyJRBDOCFQTZEUPF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one

1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 102651006) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
PubChem CID102651006
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCO1)N1CCCC1
InChIInChI=1S/C12H19NO2/c1-12(2,13-7-3-4-8-13)11(14)10-6-5-9-15-10/h6H,3-5,7-9H2,1-2H3
InChIKeyJRBDOCFQTZEUPF-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 102646932
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102646933
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 102646934
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-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646943
1-(2,3-Dihydrofuran-5-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 102651004
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
2-(Azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one
CID 102651009
1-(2,3-Dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102651010
2-(Diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one
CID 102651011

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (CID 102651006) is 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one is CC(C)(C(=O)C1=CCCO1)N1CCCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JRBDOCFQTZEUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,13-7-3-4-8-13)11(14)10-6-5-9-15-10/h6H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 102651006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).