4-benzyl-3-ethylazetidin-2-one

C12H15NO — CID 85185683

IUPAC4-benzyl-3-ethylazetidin-2-one
SMILESCCC1C(=O)NC1Cc1ccccc1
InChIInChI=1S/C12H15NO/c1-2-10-11(13-12(10)14)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,13,14)
InChIKeyFAFHHUMXOSAYBA-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.75
Rot. Bonds3

About 4-benzyl-3-ethylazetidin-2-one

4-benzyl-3-ethylazetidin-2-one (PubChem CID 85185683) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-benzyl-3-ethylazetidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-ethylazetidin-2-one
PubChem CID85185683
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-benzyl-3-ethylazetidin-2-one
SMILESCCC1C(=O)NC1Cc1ccccc1
InChIInChI=1S/C12H15NO/c1-2-10-11(13-12(10)14)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,13,14)
InChIKeyFAFHHUMXOSAYBA-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-ethylazetidin-2-one?
The IUPAC name of 4-benzyl-3-ethylazetidin-2-one (CID 85185683) is 4-benzyl-3-ethylazetidin-2-one.
What is the SMILES notation for 4-benzyl-3-ethylazetidin-2-one?
The canonical SMILES for 4-benzyl-3-ethylazetidin-2-one is CCC1C(=O)NC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-ethylazetidin-2-one?
The InChIKey is FAFHHUMXOSAYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-10-11(13-12(10)14)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,13,14).
What are the key properties of 4-benzyl-3-ethylazetidin-2-one?
4-benzyl-3-ethylazetidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-ethylazetidin-2-one is sourced from PubChem (CID 85185683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).