1-benzyl-4-ethyl-4-methylpyrrolidin-3-one

C14H19NO — CID 71175395

IUPAC1-benzyl-4-ethyl-4-methylpyrrolidin-3-one
SMILESCCC1(C)CN(Cc2ccccc2)CC1=O
InChIInChI=1S/C14H19NO/c1-3-14(2)11-15(10-13(14)16)9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyPFDCVRIXEZKMKV-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds3

About 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one

1-benzyl-4-ethyl-4-methylpyrrolidin-3-one (PubChem CID 71175395) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one.

Molecular Properties

Compound Name1-benzyl-4-ethyl-4-methylpyrrolidin-3-one
PubChem CID71175395
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-benzyl-4-ethyl-4-methylpyrrolidin-3-one
SMILESCCC1(C)CN(Cc2ccccc2)CC1=O
InChIInChI=1S/C14H19NO/c1-3-14(2)11-15(10-13(14)16)9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyPFDCVRIXEZKMKV-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one?
The IUPAC name of 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one (CID 71175395) is 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one.
What is the SMILES notation for 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one?
The canonical SMILES for 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one is CCC1(C)CN(Cc2ccccc2)CC1=O.
What is the InChIKey of 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one?
The InChIKey is PFDCVRIXEZKMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-14(2)11-15(10-13(14)16)9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3.
What are the key properties of 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one?
1-benzyl-4-ethyl-4-methylpyrrolidin-3-one has a molecular weight of 217.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethyl-4-methylpyrrolidin-3-one is sourced from PubChem (CID 71175395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).