1-benzyl-4-(phenoxymethyl)azetidin-2-one

C17H17NO2 — CID 132607413

IUPAC1-benzyl-4-(phenoxymethyl)azetidin-2-one
SMILESO=C1CC(COc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17-11-15(13-20-16-9-5-2-6-10-16)18(17)12-14-7-3-1-4-8-14/h1-10,15H,11-13H2
InChIKeyVSANXBUAOSWKOT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.87
Rot. Bonds5

About 1-benzyl-4-(phenoxymethyl)azetidin-2-one

1-benzyl-4-(phenoxymethyl)azetidin-2-one (PubChem CID 132607413) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-benzyl-4-(phenoxymethyl)azetidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(phenoxymethyl)azetidin-2-one
PubChem CID132607413
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-benzyl-4-(phenoxymethyl)azetidin-2-one
SMILESO=C1CC(COc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17-11-15(13-20-16-9-5-2-6-10-16)18(17)12-14-7-3-1-4-8-14/h1-10,15H,11-13H2
InChIKeyVSANXBUAOSWKOT-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one
CID 58014304
(4R)-1-hex-2-enyl-4-(phenoxymethyl)azetidin-2-one
CID 162275138
1-benzyl-2-(phenoxymethyl)azetidine;oxalic acid;hydrate
CID 67905585
(4R,5S)-5-methyl-1-[(4-phenoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 87950544
(6R)-1,6-dibenzylpiperidine-2,4-dione
CID 54253000
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
1-benzyl-2-[(3-chlorophenoxy)methyl]aziridine
CID 86236377
[(2S,3S)-2-acetyloxy-1-benzyl-5-oxopyrrolidin-3-yl] acetate
CID 10637302
(4R,5R)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060621
(4R,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060614
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(phenoxymethyl)azetidin-2-one?
The IUPAC name of 1-benzyl-4-(phenoxymethyl)azetidin-2-one (CID 132607413) is 1-benzyl-4-(phenoxymethyl)azetidin-2-one.
What is the SMILES notation for 1-benzyl-4-(phenoxymethyl)azetidin-2-one?
The canonical SMILES for 1-benzyl-4-(phenoxymethyl)azetidin-2-one is O=C1CC(COc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(phenoxymethyl)azetidin-2-one?
The InChIKey is VSANXBUAOSWKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17-11-15(13-20-16-9-5-2-6-10-16)18(17)12-14-7-3-1-4-8-14/h1-10,15H,11-13H2.
What are the key properties of 1-benzyl-4-(phenoxymethyl)azetidin-2-one?
1-benzyl-4-(phenoxymethyl)azetidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(phenoxymethyl)azetidin-2-one is sourced from PubChem (CID 132607413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).