1-benzoyl-5-heptoxypyrrolidin-2-one

C18H25NO3 — CID 3077955

IUPAC1-benzoyl-5-heptoxypyrrolidin-2-one
SMILESCCCCCCCOC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-2-3-4-5-9-14-22-17-13-12-16(20)19(17)18(21)15-10-7-6-8-11-15/h6-8,10-11,17H,2-5,9,12-14H2,1H3
InChIKeyGLWPMHBOGXUFSF-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.76
Rot. Bonds8

About 1-benzoyl-5-heptoxypyrrolidin-2-one

1-benzoyl-5-heptoxypyrrolidin-2-one (PubChem CID 3077955) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-benzoyl-5-heptoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzoyl-5-heptoxypyrrolidin-2-one
PubChem CID3077955
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-benzoyl-5-heptoxypyrrolidin-2-one
SMILESCCCCCCCOC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-2-3-4-5-9-14-22-17-13-12-16(20)19(17)18(21)15-10-7-6-8-11-15/h6-8,10-11,17H,2-5,9,12-14H2,1H3
InChIKeyGLWPMHBOGXUFSF-UHFFFAOYSA-N
XLogP3.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-heptoxypyrrolidin-2-one?
The IUPAC name of 1-benzoyl-5-heptoxypyrrolidin-2-one (CID 3077955) is 1-benzoyl-5-heptoxypyrrolidin-2-one.
What is the SMILES notation for 1-benzoyl-5-heptoxypyrrolidin-2-one?
The canonical SMILES for 1-benzoyl-5-heptoxypyrrolidin-2-one is CCCCCCCOC1CCC(=O)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-5-heptoxypyrrolidin-2-one?
The InChIKey is GLWPMHBOGXUFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-3-4-5-9-14-22-17-13-12-16(20)19(17)18(21)15-10-7-6-8-11-15/h6-8,10-11,17H,2-5,9,12-14H2,1H3.
What are the key properties of 1-benzoyl-5-heptoxypyrrolidin-2-one?
1-benzoyl-5-heptoxypyrrolidin-2-one has a molecular weight of 303.40 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-heptoxypyrrolidin-2-one is sourced from PubChem (CID 3077955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).