1-(8-hydroxyoctyl)pyrrolidin-2-one

C12H23NO2 — CID 57241755

IUPAC1-(8-hydroxyoctyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCCCCO
InChIInChI=1S/C12H23NO2/c14-11-6-4-2-1-3-5-9-13-10-7-8-12(13)15/h14H,1-11H2
InChIKeyKAXXYLDEYGTGHM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.94
Rot. Bonds8

About 1-(8-hydroxyoctyl)pyrrolidin-2-one

1-(8-hydroxyoctyl)pyrrolidin-2-one (PubChem CID 57241755) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(8-hydroxyoctyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(8-hydroxyoctyl)pyrrolidin-2-one
PubChem CID57241755
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(8-hydroxyoctyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCCCCO
InChIInChI=1S/C12H23NO2/c14-11-6-4-2-1-3-5-9-13-10-7-8-12(13)15/h14H,1-11H2
InChIKeyKAXXYLDEYGTGHM-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.94
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 1-(8-hydroxyoctyl)pyrrolidin-2-one?
The IUPAC name of 1-(8-hydroxyoctyl)pyrrolidin-2-one (CID 57241755) is 1-(8-hydroxyoctyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(8-hydroxyoctyl)pyrrolidin-2-one?
The canonical SMILES for 1-(8-hydroxyoctyl)pyrrolidin-2-one is O=C1CCCN1CCCCCCCCO.
What is the InChIKey of 1-(8-hydroxyoctyl)pyrrolidin-2-one?
The InChIKey is KAXXYLDEYGTGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-11-6-4-2-1-3-5-9-13-10-7-8-12(13)15/h14H,1-11H2.
What are the key properties of 1-(8-hydroxyoctyl)pyrrolidin-2-one?
1-(8-hydroxyoctyl)pyrrolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxyoctyl)pyrrolidin-2-one is sourced from PubChem (CID 57241755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).