1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one

C8H15NO2 — CID 20577830

IUPAC1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CC(O)CN1
InChIInChI=1S/C8H15NO2/c1-5(2)8(11)7-3-6(10)4-9-7/h5-7,9-10H,3-4H2,1-2H3
InChIKeyXYJTZFUPYNLLIV-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.07
Rot. Bonds2

About 1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one

1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one (PubChem CID 20577830) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one
PubChem CID20577830
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CC(O)CN1
InChIInChI=1S/C8H15NO2/c1-5(2)8(11)7-3-6(10)4-9-7/h5-7,9-10H,3-4H2,1-2H3
InChIKeyXYJTZFUPYNLLIV-UHFFFAOYSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one (CID 20577830) is 1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one is CC(C)C(=O)C1CC(O)CN1.
What is the InChIKey of 1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one?
The InChIKey is XYJTZFUPYNLLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)8(11)7-3-6(10)4-9-7/h5-7,9-10H,3-4H2,1-2H3.
What are the key properties of 1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one?
1-(4-hydroxypyrrolidin-2-yl)-2-methylpropan-1-one has a molecular weight of 157.21 g/mol, XLogP of -0.07, 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)-2-methylpropan-1-one is sourced from PubChem (CID 20577830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).