1,3-diethyl-3-phenylazetidin-2-one

C13H17NO — CID 137321499

IUPAC1,3-diethyl-3-phenylazetidin-2-one
SMILESCCN1CC(CC)(c2ccccc2)C1=O
InChIInChI=1S/C13H17NO/c1-3-13(10-14(4-2)12(13)15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyNRTSSBXDICAOMJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.20
Rot. Bonds3

About 1,3-diethyl-3-phenylazetidin-2-one

1,3-diethyl-3-phenylazetidin-2-one (PubChem CID 137321499) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1,3-diethyl-3-phenylazetidin-2-one.

Molecular Properties

Compound Name1,3-diethyl-3-phenylazetidin-2-one
PubChem CID137321499
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1,3-diethyl-3-phenylazetidin-2-one
SMILESCCN1CC(CC)(c2ccccc2)C1=O
InChIInChI=1S/C13H17NO/c1-3-13(10-14(4-2)12(13)15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyNRTSSBXDICAOMJ-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-3-phenylazetidin-2-one?
The IUPAC name of 1,3-diethyl-3-phenylazetidin-2-one (CID 137321499) is 1,3-diethyl-3-phenylazetidin-2-one.
What is the SMILES notation for 1,3-diethyl-3-phenylazetidin-2-one?
The canonical SMILES for 1,3-diethyl-3-phenylazetidin-2-one is CCN1CC(CC)(c2ccccc2)C1=O.
What is the InChIKey of 1,3-diethyl-3-phenylazetidin-2-one?
The InChIKey is NRTSSBXDICAOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-13(10-14(4-2)12(13)15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 1,3-diethyl-3-phenylazetidin-2-one?
1,3-diethyl-3-phenylazetidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-3-phenylazetidin-2-one is sourced from PubChem (CID 137321499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).