1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone

C10H19NO2 — CID 123550571

IUPAC1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CC(O)N(C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-7(12)8-5-9(13)11(6-8)10(2,3)4/h8-9,13H,5-6H2,1-4H3
InChIKeyPARQZXHZWOHWFS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.01
Rot. Bonds1

About 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone

1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone (PubChem CID 123550571) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone
PubChem CID123550571
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CC(O)N(C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-7(12)8-5-9(13)11(6-8)10(2,3)4/h8-9,13H,5-6H2,1-4H3
InChIKeyPARQZXHZWOHWFS-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone (CID 123550571) is 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone is CC(=O)C1CC(O)N(C(C)(C)C)C1.
What is the InChIKey of 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone?
The InChIKey is PARQZXHZWOHWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(12)8-5-9(13)11(6-8)10(2,3)4/h8-9,13H,5-6H2,1-4H3.
What are the key properties of 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone?
1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone has a molecular weight of 185.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone is sourced from PubChem (CID 123550571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).