2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one

C11H21NO2 — CID 62371308

IUPAC2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(CO)C1
InChIInChI=1S/C11H21NO2/c1-3-10(4-2)11(14)12-6-5-9(7-12)8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyXEPQGIUQKYJOBN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.26
Rot. Bonds4

About 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one

2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 62371308) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
PubChem CID62371308
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(CO)C1
InChIInChI=1S/C11H21NO2/c1-3-10(4-2)11(14)12-6-5-9(7-12)8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyXEPQGIUQKYJOBN-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444
2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 112624987
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]butanethioamide
CID 112625450
(2R)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 103942705
1-(3-aminopyrrolidin-1-yl)-2-propylpentan-1-one
CID 82987887
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 114875391
2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
CID 55105089
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide
CID 113356030
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 55065368

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one (CID 62371308) is 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCC(CO)C1.
What is the InChIKey of 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is XEPQGIUQKYJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(4-2)11(14)12-6-5-9(7-12)8-13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one?
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 62371308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).