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

C11H21NO3 — CID 62589501

IUPAC1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC1CCCO
InChIInChI=1S/C11H21NO3/c1-15-9-6-11(14)12-7-2-4-10(12)5-3-8-13/h10,13H,2-9H2,1H3
InChIKeyUMOYIYYNVQIHON-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.79
Rot. Bonds6

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

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one (PubChem CID 62589501) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
PubChem CID62589501
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC1CCCO
InChIInChI=1S/C11H21NO3/c1-15-9-6-11(14)12-7-2-4-10(12)5-3-8-13/h10,13H,2-9H2,1H3
InChIKeyUMOYIYYNVQIHON-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 62717355
3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469307
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 63755020
2-hydroxy-1-[2-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 77474029
3-(tert-butylamino)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478861
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
3-methoxy-1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111813
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62479215
2-(azetidin-3-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 64609791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one (CID 62589501) is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCCC1CCCO.
What is the InChIKey of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is UMOYIYYNVQIHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-15-9-6-11(14)12-7-2-4-10(12)5-3-8-13/h10,13H,2-9H2,1H3.
What are the key properties of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one?
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 215.29 g/mol, XLogP of 0.79, 6 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]-3-methoxypropan-1-one is sourced from PubChem (CID 62589501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).