6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one

C22H43NO2 — CID 574652

IUPAC6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one
SMILESCCCCCCCCCCCCC(O)CCCCC(=O)N1CCCC1
InChIInChI=1S/C22H43NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21(24)17-12-13-18-22(25)23-19-14-15-20-23/h21,24H,2-20H2,1H3
InChIKeyGOSQLVROXRMYNO-UHFFFAOYSA-N
MW353.59 g/mol
LogP5.84
Rot. Bonds16

About 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one

6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one (PubChem CID 574652) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one.

Molecular Properties

Compound Name6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one
PubChem CID574652
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC Name6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one
SMILESCCCCCCCCCCCCC(O)CCCCC(=O)N1CCCC1
InChIInChI=1S/C22H43NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21(24)17-12-13-18-22(25)23-19-14-15-20-23/h21,24H,2-20H2,1H3
InChIKeyGOSQLVROXRMYNO-UHFFFAOYSA-N
XLogP5.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 55.84
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 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one?
The IUPAC name of 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one (CID 574652) is 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one.
What is the SMILES notation for 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one?
The canonical SMILES for 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one is CCCCCCCCCCCCC(O)CCCCC(=O)N1CCCC1.
What is the InChIKey of 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one?
The InChIKey is GOSQLVROXRMYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21(24)17-12-13-18-22(25)23-19-14-15-20-23/h21,24H,2-20H2,1H3.
What are the key properties of 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one?
6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one has a molecular weight of 353.59 g/mol, XLogP of 5.84, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-pyrrolidin-1-yloctadecan-1-one is sourced from PubChem (CID 574652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).