1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

C10H19NO2 — CID 79546453

IUPAC1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1CC(C)O
InChIInChI=1S/C10H19NO2/c1-3-10(13)11-6-4-5-9(11)7-8(2)12/h8-9,12H,3-7H2,1-2H3
InChIKeyUGDKCXRMERBXOL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds3

About 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 79546453) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
PubChem CID79546453
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1CC(C)O
InChIInChI=1S/C10H19NO2/c1-3-10(13)11-6-4-5-9(11)7-8(2)12/h8-9,12H,3-7H2,1-2H3
InChIKeyUGDKCXRMERBXOL-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123
cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546457
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049
2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 110012382
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
1-[2-(chloromethyl)pyrrolidin-1-yl]propan-1-one
CID 63394674
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone
CID 79548822
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (CID 79546453) is 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1CC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is UGDKCXRMERBXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-10(13)11-6-4-5-9(11)7-8(2)12/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 79546453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).