1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one

C8H15NO2 — CID 162750810

IUPAC1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one
SMILESCC(=O)CO[C@@H]1CCN(C)C1
InChIInChI=1S/C8H15NO2/c1-7(10)6-11-8-3-4-9(2)5-8/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyFZCQQHMNWNEPRS-MRVPVSSYSA-N
MW157.21 g/mol
LogP0.30
Rot. Bonds3

About 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one

1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one (PubChem CID 162750810) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one.

Molecular Properties

Compound Name1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one
PubChem CID162750810
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one
SMILESCC(=O)CO[C@@H]1CCN(C)C1
InChIInChI=1S/C8H15NO2/c1-7(10)6-11-8-3-4-9(2)5-8/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyFZCQQHMNWNEPRS-MRVPVSSYSA-N
XLogP0.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-1-one
CID 70966601
methanol;3-methoxy-1-methylpyrrolidine
CID 164878451
1-(1-methylpiperidin-4-yl)oxybutan-2-one
CID 143481860
2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 166537028
1-chloro-4-methylbenzene;methanol;2-(1-methylpyrrolidin-3-yl)oxyacetic acid;propan-1-ol
CID 143657884
1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one
CID 171800198
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate
CID 142907839
(1-methylpyrrolidin-3-yl) 2-methylpropanoate
CID 58333474
ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate
CID 58136136
(3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine
CID 178107990
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one?
The IUPAC name of 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one (CID 162750810) is 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one.
What is the SMILES notation for 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one?
The canonical SMILES for 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one is CC(=O)CO[C@@H]1CCN(C)C1.
What is the InChIKey of 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one?
The InChIKey is FZCQQHMNWNEPRS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(10)6-11-8-3-4-9(2)5-8/h8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one?
1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one is sourced from PubChem (CID 162750810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).