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

C10H19NO3 — CID 103540685

IUPAC4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
SMILESCOC1CCN(C(=O)CCC(C)O)C1
InChIInChI=1S/C10H19NO3/c1-8(12)3-4-10(13)11-6-5-9(7-11)14-2/h8-9,12H,3-7H2,1-2H3
InChIKeyWTOMKJKAARETKY-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.39
Rot. Bonds4

About 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one

4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one (PubChem CID 103540685) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
PubChem CID103540685
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
SMILESCOC1CCN(C(=O)CCC(C)O)C1
InChIInChI=1S/C10H19NO3/c1-8(12)3-4-10(13)11-6-5-9(7-11)14-2/h8-9,12H,3-7H2,1-2H3
InChIKeyWTOMKJKAARETKY-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
CID 82693542
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one (CID 103540685) is 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one is COC1CCN(C(=O)CCC(C)O)C1.
What is the InChIKey of 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
The InChIKey is WTOMKJKAARETKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(12)3-4-10(13)11-6-5-9(7-11)14-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 103540685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).