1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one

C10H19NO2 — CID 59908097

IUPAC1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)C1CC(O)CN1
InChIInChI=1S/C10H19NO2/c1-10(2,3)5-9(13)8-4-7(12)6-11-8/h7-8,11-12H,4-6H2,1-3H3
InChIKeyRFUZNYXPCZZLSG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.71
Rot. Bonds2

About 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one

1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one (PubChem CID 59908097) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one
PubChem CID59908097
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)C1CC(O)CN1
InChIInChI=1S/C10H19NO2/c1-10(2,3)5-9(13)8-4-7(12)6-11-8/h7-8,11-12H,4-6H2,1-3H3
InChIKeyRFUZNYXPCZZLSG-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Hydroxypyrrolidin-2-yl)-2-methylpropan-1-one
CID 20577830
1-(4-Hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 22082816
1-[(4R)-1-tert-butyl-4-hydroxypyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 57633867
1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 57894463
1-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 57894466
1-[(2S,4R)-1-tert-butyl-4-hydroxypyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 58935323
1-[(4S)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59044904
1-(1-Acetyl-4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one
CID 59055685
1-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59080132
actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59116554
1-(1-Tert-butyl-4-hydroxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 59123776
1-[(4S)-4-hydroxypyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59866622

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one (CID 59908097) is 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)C1CC(O)CN1.
What is the InChIKey of 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one?
The InChIKey is RFUZNYXPCZZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)5-9(13)8-4-7(12)6-11-8/h7-8,11-12H,4-6H2,1-3H3.
What are the key properties of 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one?
1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one has a molecular weight of 185.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 59908097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).