1-(2-hydroxypyrrolidin-1-yl)butan-1-one

C8H15NO2 — CID 134987996

IUPAC1-(2-hydroxypyrrolidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCC1O
InChIInChI=1S/C8H15NO2/c1-2-4-7(10)9-6-3-5-8(9)11/h8,11H,2-6H2,1H3
InChIKeyCBHAWKPHWIPCDP-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.73
Rot. Bonds2

About 1-(2-hydroxypyrrolidin-1-yl)butan-1-one

1-(2-hydroxypyrrolidin-1-yl)butan-1-one (PubChem CID 134987996) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2-hydroxypyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-hydroxypyrrolidin-1-yl)butan-1-one
PubChem CID134987996
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2-hydroxypyrrolidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCC1O
InChIInChI=1S/C8H15NO2/c1-2-4-7(10)9-6-3-5-8(9)11/h8,11H,2-6H2,1H3
InChIKeyCBHAWKPHWIPCDP-UHFFFAOYSA-N
XLogP0.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypyrrolidin-1-yl)butan-1-one?
The IUPAC name of 1-(2-hydroxypyrrolidin-1-yl)butan-1-one (CID 134987996) is 1-(2-hydroxypyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(2-hydroxypyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 1-(2-hydroxypyrrolidin-1-yl)butan-1-one is CCCC(=O)N1CCCC1O.
What is the InChIKey of 1-(2-hydroxypyrrolidin-1-yl)butan-1-one?
The InChIKey is CBHAWKPHWIPCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-4-7(10)9-6-3-5-8(9)11/h8,11H,2-6H2,1H3.
What are the key properties of 1-(2-hydroxypyrrolidin-1-yl)butan-1-one?
1-(2-hydroxypyrrolidin-1-yl)butan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 134987996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).