5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one

C10H19NO3 — CID 19039692

IUPAC5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
SMILESCOC1CCN(C(=O)CCCCO)C1
InChIInChI=1S/C10H19NO3/c1-14-9-5-6-11(8-9)10(13)4-2-3-7-12/h9,12H,2-8H2,1H3
InChIKeyKBGHSFJUJHHPLS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.40
Rot. Bonds5

About 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one

5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one (PubChem CID 19039692) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
PubChem CID19039692
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
SMILESCOC1CCN(C(=O)CCCCO)C1
InChIInChI=1S/C10H19NO3/c1-14-9-5-6-11(8-9)10(13)4-2-3-7-12/h9,12H,2-8H2,1H3
InChIKeyKBGHSFJUJHHPLS-UHFFFAOYSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
5-bromo-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 107908012
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
CID 108754184
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one
CID 79209523

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one (CID 19039692) is 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one is COC1CCN(C(=O)CCCCO)C1.
What is the InChIKey of 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
The InChIKey is KBGHSFJUJHHPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-9-5-6-11(8-9)10(13)4-2-3-7-12/h9,12H,2-8H2,1H3.
What are the key properties of 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 19039692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).