1-benzyl-5-propan-2-yloxypyrrolidin-2-one

C14H19NO2 — CID 3077960

IUPAC1-benzyl-5-propan-2-yloxypyrrolidin-2-one
SMILESCC(C)OC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(2)17-14-9-8-13(16)15(14)10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3
InChIKeySSFSGFQDFLKKHU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.56
Rot. Bonds4

About 1-benzyl-5-propan-2-yloxypyrrolidin-2-one

1-benzyl-5-propan-2-yloxypyrrolidin-2-one (PubChem CID 3077960) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-benzyl-5-propan-2-yloxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-propan-2-yloxypyrrolidin-2-one
PubChem CID3077960
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-benzyl-5-propan-2-yloxypyrrolidin-2-one
SMILESCC(C)OC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(2)17-14-9-8-13(16)15(14)10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3
InChIKeySSFSGFQDFLKKHU-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-propan-2-yloxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-propan-2-yloxypyrrolidin-2-one (CID 3077960) is 1-benzyl-5-propan-2-yloxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-propan-2-yloxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-propan-2-yloxypyrrolidin-2-one is CC(C)OC1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-propan-2-yloxypyrrolidin-2-one?
The InChIKey is SSFSGFQDFLKKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(2)17-14-9-8-13(16)15(14)10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-5-propan-2-yloxypyrrolidin-2-one?
1-benzyl-5-propan-2-yloxypyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-propan-2-yloxypyrrolidin-2-one is sourced from PubChem (CID 3077960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).