1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one

C10H19NO2 — CID 115686899

IUPAC1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
SMILESCCC1CCN(C(=O)C(C)OC)C1
InChIInChI=1S/C10H19NO2/c1-4-9-5-6-11(7-9)10(12)8(2)13-3/h8-9H,4-7H2,1-3H3
InChIKeyAORYGCVBSTYWAV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one

1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one (PubChem CID 115686899) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
PubChem CID115686899
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
SMILESCCC1CCN(C(=O)C(C)OC)C1
InChIInChI=1S/C10H19NO2/c1-4-9-5-6-11(7-9)10(12)8(2)13-3/h8-9H,4-7H2,1-3H3
InChIKeyAORYGCVBSTYWAV-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769847
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103812979
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 116678920
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one
CID 115737084
2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77474038
1-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxypropan-1-one
CID 112704602
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
CID 164659441
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 55065368
methylaminomethyl 3-ethylpyrrolidine-1-carboxylate
CID 171073093

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one (CID 115686899) is 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one is CCC1CCN(C(=O)C(C)OC)C1.
What is the InChIKey of 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is AORYGCVBSTYWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9-5-6-11(7-9)10(12)8(2)13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one?
1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 115686899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).