(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one

C10H19NO2 — CID 131155812

IUPAC(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
SMILESCCC1CCC(C)N1C(=O)[C@@H](C)O
InChIInChI=1S/C10H19NO2/c1-4-9-6-5-7(2)11(9)10(13)8(3)12/h7-9,12H,4-6H2,1-3H3/t7?,8-,9?/m1/s1
InChIKeyIFKIDNPGCNZTRB-QJAFJHJLSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds2

About (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one

(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one (PubChem CID 131155812) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
PubChem CID131155812
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
SMILESCCC1CCC(C)N1C(=O)[C@@H](C)O
InChIInChI=1S/C10H19NO2/c1-4-9-6-5-7(2)11(9)10(13)8(3)12/h7-9,12H,4-6H2,1-3H3/t7?,8-,9?/m1/s1
InChIKeyIFKIDNPGCNZTRB-QJAFJHJLSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 90247385
3-[(2R,6S)-2-ethyl-6-methylpiperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 131963736
2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
CID 106591734
2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
CID 106593039
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone
CID 89477379
3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one
CID 83227880
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylbutan-1-one
CID 100963841
3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 83219455
azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227277
(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one (CID 131155812) is (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one is CCC1CCC(C)N1C(=O)[C@@H](C)O.
What is the InChIKey of (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is IFKIDNPGCNZTRB-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9-6-5-7(2)11(9)10(13)8(3)12/h7-9,12H,4-6H2,1-3H3/t7?,8-,9?/m1/s1.
What are the key properties of (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one?
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 131155812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).