1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone

C10H20N2O3 — CID 103533144

IUPAC1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C10H20N2O3/c1-4-11-5-10(13)12-6-8(14-2)9(7-12)15-3/h8-9,11H,4-7H2,1-3H3
InChIKeySGKRUWQCMNPHBQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.53
Rot. Bonds5

About 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone

1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone (PubChem CID 103533144) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
PubChem CID103533144
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C10H20N2O3/c1-4-11-5-10(13)12-6-8(14-2)9(7-12)15-3/h8-9,11H,4-7H2,1-3H3
InChIKeySGKRUWQCMNPHBQ-UHFFFAOYSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 114536651
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 103536736
2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 103531253
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 103536440
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
3,4-dimethoxypyrrolidine-1-carbohydrazide
CID 103536753
1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
CID 62084699

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone (CID 103533144) is 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone is CCNCC(=O)N1CC(OC)C(OC)C1.
What is the InChIKey of 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone?
The InChIKey is SGKRUWQCMNPHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-11-5-10(13)12-6-8(14-2)9(7-12)15-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone?
1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone has a molecular weight of 216.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 103533144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).