1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone

C8H15NO2 — CID 57091302

IUPAC1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
SMILESCCO[C@@H]1CCN(C(C)=O)C1
InChIInChI=1S/C8H15NO2/c1-3-11-8-4-5-9(6-8)7(2)10/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeySMCSNTPVDZFXJM-MRVPVSSYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds2

About 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone

1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone (PubChem CID 57091302) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
PubChem CID57091302
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
SMILESCCO[C@@H]1CCN(C(C)=O)C1
InChIInChI=1S/C8H15NO2/c1-3-11-8-4-5-9(6-8)7(2)10/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeySMCSNTPVDZFXJM-MRVPVSSYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
[(3R)-1-acetylpyrrolidin-3-yl] carbamate
CID 89323069
1-(3-methylsulfanyloxypyrrolidin-1-yl)ethanone
CID 130400151
4-(4-ethoxypiperidin-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993190
2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61216682
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid
CID 66563759
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone (CID 57091302) is 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone is CCO[C@@H]1CCN(C(C)=O)C1.
What is the InChIKey of 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone?
The InChIKey is SMCSNTPVDZFXJM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-11-8-4-5-9(6-8)7(2)10/h8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone?
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 57091302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).