5-hydroxy-1-pyrrolidin-1-ylpentan-1-one

C9H17NO2 — CID 54226709

IUPAC5-hydroxy-1-pyrrolidin-1-ylpentan-1-one
SMILESO=C(CCCCO)N1CCCC1
InChIInChI=1S/C9H17NO2/c11-8-4-1-5-9(12)10-6-2-3-7-10/h11H,1-8H2
InChIKeyFZAQRLFSSAELLU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds4

About 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one

5-hydroxy-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 54226709) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-pyrrolidin-1-ylpentan-1-one
PubChem CID54226709
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-hydroxy-1-pyrrolidin-1-ylpentan-1-one
SMILESO=C(CCCCO)N1CCCC1
InChIInChI=1S/C9H17NO2/c11-8-4-1-5-9(12)10-6-2-3-7-10/h11H,1-8H2
InChIKeyFZAQRLFSSAELLU-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one (CID 54226709) is 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one is O=C(CCCCO)N1CCCC1.
What is the InChIKey of 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is FZAQRLFSSAELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-8-4-1-5-9(12)10-6-2-3-7-10/h11H,1-8H2.
What are the key properties of 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
5-hydroxy-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 54226709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).