ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate

C14H16N2O3 — CID 70500389

IUPACethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate
SMILESCCOC(=O)NC1C(=O)NC1C=Cc1ccccc1
InChIInChI=1S/C14H16N2O3/c1-2-19-14(18)16-12-11(15-13(12)17)9-8-10-6-4-3-5-7-10/h3-9,11-12H,2H2,1H3,(H,15,17)(H,16,18)
InChIKeyVUPUSSNCJNEYRP-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.31
Rot. Bonds4

About ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate

ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate (PubChem CID 70500389) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate
PubChem CID70500389
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate
SMILESCCOC(=O)NC1C(=O)NC1C=Cc1ccccc1
InChIInChI=1S/C14H16N2O3/c1-2-19-14(18)16-12-11(15-13(12)17)9-8-10-6-4-3-5-7-10/h3-9,11-12H,2H2,1H3,(H,15,17)(H,16,18)
InChIKeyVUPUSSNCJNEYRP-UHFFFAOYSA-N
XLogP1.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
CID 70574394
3-ethyl-4-(2-phenylethenyl)azetidin-2-one
CID 54427704
5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one
CID 102399861
(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
CID 67831878
ethyl 4-methyl-6-(2-phenylethenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 4921449
benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 70415779
4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
CID 70066029
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 54092539
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate?
The IUPAC name of ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate (CID 70500389) is ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate is CCOC(=O)NC1C(=O)NC1C=Cc1ccccc1.
What is the InChIKey of ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate?
The InChIKey is VUPUSSNCJNEYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-14(18)16-12-11(15-13(12)17)9-8-10-6-4-3-5-7-10/h3-9,11-12H,2H2,1H3,(H,15,17)(H,16,18).
What are the key properties of ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate?
ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate has a molecular weight of 260.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 70500389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).