5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one

C11H21NO3 — CID 112629395

IUPAC5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(O)C1CCN(C(=O)CCCCO)C1
InChIInChI=1S/C11H21NO3/c1-9(14)10-5-6-12(8-10)11(15)4-2-3-7-13/h9-10,13-14H,2-8H2,1H3
InChIKeyRRBFABFIKDYZJR-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.38
Rot. Bonds5

About 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one

5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 112629395) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID112629395
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(O)C1CCN(C(=O)CCCCO)C1
InChIInChI=1S/C11H21NO3/c1-9(14)10-5-6-12(8-10)11(15)4-2-3-7-13/h9-10,13-14H,2-8H2,1H3
InChIKeyRRBFABFIKDYZJR-UHFFFAOYSA-N
XLogP0.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 112627417
5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one
CID 79209523
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 115966197
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
CID 115966262
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide
CID 115966177
4-(2-chlorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]butan-1-one
CID 110023487
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one (CID 112629395) is 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one is CC(O)C1CCN(C(=O)CCCCO)C1.
What is the InChIKey of 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is RRBFABFIKDYZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(14)10-5-6-12(8-10)11(15)4-2-3-7-13/h9-10,13-14H,2-8H2,1H3.
What are the key properties of 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one?
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 215.29 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 112629395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).