2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

C10H20N2O2 — CID 111560906

IUPAC2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H20N2O2/c1-3-11(4-2)8-10(14)12-6-5-9(13)7-12/h9,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyKLNMTFSOWRSVQH-SECBINFHSA-N
MW200.28 g/mol
LogP-0.08
Rot. Bonds4

About 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 111560906) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID111560906
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H20N2O2/c1-3-11(4-2)8-10(14)12-6-5-9(13)7-12/h9,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyKLNMTFSOWRSVQH-SECBINFHSA-N
XLogP-0.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 66262023
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
2-(diethylamino)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119543010
1-(3-hydroxypyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107028868
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 130920541
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylsulfonylethanone
CID 79030084
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 157028597
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
CID 62943798
3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291781

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (CID 111560906) is 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is CCN(CC)CC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is KLNMTFSOWRSVQH-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-11(4-2)8-10(14)12-6-5-9(13)7-12/h9,13H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 200.28 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 111560906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).