1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one

C10H19NO2 — CID 62467243

IUPAC1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCCC1CCCO
InChIInChI=1S/C10H19NO2/c1-9(13)8-11-6-2-4-10(11)5-3-7-12/h10,12H,2-8H2,1H3
InChIKeyRKCGLIJASLMMDG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.81
Rot. Bonds5

About 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one (PubChem CID 62467243) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one
PubChem CID62467243
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCCC1CCCO
InChIInChI=1S/C10H19NO2/c1-9(13)8-11-6-2-4-10(11)5-3-7-12/h10,12H,2-8H2,1H3
InChIKeyRKCGLIJASLMMDG-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one?
The IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one (CID 62467243) is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one is CC(=O)CN1CCCC1CCCO.
What is the InChIKey of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one?
The InChIKey is RKCGLIJASLMMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(13)8-11-6-2-4-10(11)5-3-7-12/h10,12H,2-8H2,1H3.
What are the key properties of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one?
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 62467243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).