1-hydroxy-1-pyrrolidin-3-ylbutan-2-one

C8H15NO2 — CID 89012157

IUPAC1-hydroxy-1-pyrrolidin-3-ylbutan-2-one
SMILESCCC(=O)C(O)C1CCNC1
InChIInChI=1S/C8H15NO2/c1-2-7(10)8(11)6-3-4-9-5-6/h6,8-9,11H,2-5H2,1H3
InChIKeyFMTBYSBVYYKUKQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.06
Rot. Bonds3

About 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one

1-hydroxy-1-pyrrolidin-3-ylbutan-2-one (PubChem CID 89012157) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-pyrrolidin-3-ylbutan-2-one
PubChem CID89012157
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-hydroxy-1-pyrrolidin-3-ylbutan-2-one
SMILESCCC(=O)C(O)C1CCNC1
InChIInChI=1S/C8H15NO2/c1-2-7(10)8(11)6-3-4-9-5-6/h6,8-9,11H,2-5H2,1H3
InChIKeyFMTBYSBVYYKUKQ-UHFFFAOYSA-N
XLogP-0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one?
The IUPAC name of 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one (CID 89012157) is 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one.
What is the SMILES notation for 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one?
The canonical SMILES for 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one is CCC(=O)C(O)C1CCNC1.
What is the InChIKey of 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one?
The InChIKey is FMTBYSBVYYKUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-7(10)8(11)6-3-4-9-5-6/h6,8-9,11H,2-5H2,1H3.
What are the key properties of 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one?
1-hydroxy-1-pyrrolidin-3-ylbutan-2-one has a molecular weight of 157.21 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-pyrrolidin-3-ylbutan-2-one is sourced from PubChem (CID 89012157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).