(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one

C14H19NO — CID 45095274

IUPAC(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
SMILESCC[C@H]1C(=O)N(Cc2ccccc2)[C@H]1CC
InChIInChI=1S/C14H19NO/c1-3-12-13(4-2)15(14(12)16)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-,13+/m1/s1
InChIKeyGBQQEIODPBBRGC-OLZOCXBDSA-N
MW217.31 g/mol
LogP2.83
Rot. Bonds4

About (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one

(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one (PubChem CID 45095274) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
PubChem CID45095274
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
SMILESCC[C@H]1C(=O)N(Cc2ccccc2)[C@H]1CC
InChIInChI=1S/C14H19NO/c1-3-12-13(4-2)15(14(12)16)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-,13+/m1/s1
InChIKeyGBQQEIODPBBRGC-OLZOCXBDSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one?
The IUPAC name of (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one (CID 45095274) is (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one is CC[C@H]1C(=O)N(Cc2ccccc2)[C@H]1CC.
What is the InChIKey of (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one?
The InChIKey is GBQQEIODPBBRGC-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-12-13(4-2)15(14(12)16)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one?
(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one is sourced from PubChem (CID 45095274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).