1-benzyl-5-octoxypyrrolidin-2-one

C19H29NO2 — CID 3077965

IUPAC1-benzyl-5-octoxypyrrolidin-2-one
SMILESCCCCCCCCOC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-10-15-22-19-14-13-18(21)20(19)16-17-11-8-7-9-12-17/h7-9,11-12,19H,2-6,10,13-16H2,1H3
InChIKeyCOXFPSBEHDFMBE-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.51
Rot. Bonds10

About 1-benzyl-5-octoxypyrrolidin-2-one

1-benzyl-5-octoxypyrrolidin-2-one (PubChem CID 3077965) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-benzyl-5-octoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-octoxypyrrolidin-2-one
PubChem CID3077965
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-benzyl-5-octoxypyrrolidin-2-one
SMILESCCCCCCCCOC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-10-15-22-19-14-13-18(21)20(19)16-17-11-8-7-9-12-17/h7-9,11-12,19H,2-6,10,13-16H2,1H3
InChIKeyCOXFPSBEHDFMBE-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
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-benzyl-5-octoxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-octoxypyrrolidin-2-one (CID 3077965) is 1-benzyl-5-octoxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-octoxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-octoxypyrrolidin-2-one is CCCCCCCCOC1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-octoxypyrrolidin-2-one?
The InChIKey is COXFPSBEHDFMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-3-4-5-6-10-15-22-19-14-13-18(21)20(19)16-17-11-8-7-9-12-17/h7-9,11-12,19H,2-6,10,13-16H2,1H3.
What are the key properties of 1-benzyl-5-octoxypyrrolidin-2-one?
1-benzyl-5-octoxypyrrolidin-2-one has a molecular weight of 303.45 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-octoxypyrrolidin-2-one is sourced from PubChem (CID 3077965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).