4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one

C9H17NO3 — CID 106670355

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one
SMILESCC(=O)CC(C)N1CC(O)C(O)C1
InChIInChI=1S/C9H17NO3/c1-6(3-7(2)11)10-4-8(12)9(13)5-10/h6,8-9,12-13H,3-5H2,1-2H3
InChIKeyQRAVRCFRJCLPND-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.61
Rot. Bonds3

About 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one

4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one (PubChem CID 106670355) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one
PubChem CID106670355
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one
SMILESCC(=O)CC(C)N1CC(O)C(O)C1
InChIInChI=1S/C9H17NO3/c1-6(3-7(2)11)10-4-8(12)9(13)5-10/h6,8-9,12-13H,3-5H2,1-2H3
InChIKeyQRAVRCFRJCLPND-UHFFFAOYSA-N
XLogP-0.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butanoate
CID 79411173
4-(2-methylmorpholin-4-yl)pentan-2-one
CID 64697902
4-(4-methoxypiperidin-1-yl)pentan-2-one
CID 64699120
3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one
CID 130826237
4-(1,4-oxazepan-4-yl)pentan-2-one
CID 64696480
3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylbutanoic acid
CID 79411263
4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one
CID 131198227
4-(4-oxopentan-2-yl)piperazin-2-one
CID 64698316
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
CID 106672398
ethyl 3-(3-aminoazetidin-1-yl)butanoate
CID 65249618
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
1-pentan-3-ylpyrrolidine-3,4-diol
CID 106672556

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one (CID 106670355) is 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one is CC(=O)CC(C)N1CC(O)C(O)C1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one?
The InChIKey is QRAVRCFRJCLPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(3-7(2)11)10-4-8(12)9(13)5-10/h6,8-9,12-13H,3-5H2,1-2H3.
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one?
4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one has a molecular weight of 187.24 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one is sourced from PubChem (CID 106670355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).