1-(3-ethoxypyrrolidin-1-yl)ethanone

C8H15NO2 — CID 21220483

IUPAC1-(3-ethoxypyrrolidin-1-yl)ethanone
SMILESCCOC1CCN(C(C)=O)C1
InChIInChI=1S/C8H15NO2/c1-3-11-8-4-5-9(6-8)7(2)10/h8H,3-6H2,1-2H3
InChIKeySMCSNTPVDZFXJM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds2

About 1-(3-ethoxypyrrolidin-1-yl)ethanone

1-(3-ethoxypyrrolidin-1-yl)ethanone (PubChem CID 21220483) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(3-ethoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethoxypyrrolidin-1-yl)ethanone
PubChem CID21220483
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(3-ethoxypyrrolidin-1-yl)ethanone
SMILESCCOC1CCN(C(C)=O)C1
InChIInChI=1S/C8H15NO2/c1-3-11-8-4-5-9(6-8)7(2)10/h8H,3-6H2,1-2H3
InChIKeySMCSNTPVDZFXJM-UHFFFAOYSA-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-Oxazolidinone, 3-(1-ethoxyethyl)-5-methyl-
CID 14474965
3-Methoxypyrrolidine-1-carbonyl chloride
CID 103541618
1-{6-Oxa-3-azabicyclo[3.1.0]hexan-3-yl}ethan-1-one
CID 119097635
1-(3-Methoxypyrrolidin-1-yl)prop-2-yn-1-one
CID 132343803
3-Butyl-5-methyl-1,3-oxazolidin-2-one
CID 13432449
N-(b-ethoxyethyl)pyrrolidone
CID 22012934
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790026
2,2,2-trifluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 89059468
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]propan-1-one
CID 89231844
2,2-difluoro-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 121246962
2,2-difluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 121261738
1-[3-(Difluoromethoxy)pyrrolidin-1-yl]ethanone
CID 131042064

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-ethoxypyrrolidin-1-yl)ethanone (CID 21220483) is 1-(3-ethoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-ethoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-ethoxypyrrolidin-1-yl)ethanone is CCOC1CCN(C(C)=O)C1.
What is the InChIKey of 1-(3-ethoxypyrrolidin-1-yl)ethanone?
The InChIKey is SMCSNTPVDZFXJM-UHFFFAOYSA-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.
What are the key properties of 1-(3-ethoxypyrrolidin-1-yl)ethanone?
1-(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-(3-ethoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 21220483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).