(4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one

C16H15NO2 — CID 174261033

IUPAC(4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one
SMILESO=C1C[C@@H](C=Cc2ccco2)N1Cc1ccccc1
InChIInChI=1S/C16H15NO2/c18-16-11-14(8-9-15-7-4-10-19-15)17(16)12-13-5-2-1-3-6-13/h1-10,14H,11-12H2/t14-/m1/s1
InChIKeyXDWBNZAEUYDEGP-CQSZACIVSA-N
MW253.30 g/mol
LogP3.09
Rot. Bonds4

About (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one

(4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one (PubChem CID 174261033) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one
PubChem CID174261033
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one
SMILESO=C1C[C@@H](C=Cc2ccco2)N1Cc1ccccc1
InChIInChI=1S/C16H15NO2/c18-16-11-14(8-9-15-7-4-10-19-15)17(16)12-13-5-2-1-3-6-13/h1-10,14H,11-12H2/t14-/m1/s1
InChIKeyXDWBNZAEUYDEGP-CQSZACIVSA-N
XLogP3.09
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid
CID 59093586
(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 95594085
(3E)-1-benzyl-3,5-bis(furan-2-ylmethylidene)piperidin-4-one
CID 6938019
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one
CID 132510401
1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one
CID 132510405
(5S)-5-[(Z)-2-(furan-2-yl)ethenyl]pyrrolidin-2-one
CID 131234360
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(4R)-1-benzyl-4-(furan-2-yl)pyrrolidin-2-one
CID 102377410
2-[(Z)-2-chloroethenyl]furan
CID 11389398
1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one?
The IUPAC name of (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one (CID 174261033) is (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one.
What is the SMILES notation for (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one?
The canonical SMILES for (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one is O=C1C[C@@H](C=Cc2ccco2)N1Cc1ccccc1.
What is the InChIKey of (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one?
The InChIKey is XDWBNZAEUYDEGP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16-11-14(8-9-15-7-4-10-19-15)17(16)12-13-5-2-1-3-6-13/h1-10,14H,11-12H2/t14-/m1/s1.
What are the key properties of (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one?
(4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one has a molecular weight of 253.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one is sourced from PubChem (CID 174261033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).