1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C16H20N2O3 — CID 97279560

IUPAC1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCOc1cccc([C@@H]2CCN2C(=O)CN2CCCC2=O)c1
InChIInChI=1S/C16H20N2O3/c1-21-13-5-2-4-12(10-13)14-7-9-18(14)16(20)11-17-8-3-6-15(17)19/h2,4-5,10,14H,3,6-9,11H2,1H3/t14-/m0/s1
InChIKeyXPJVCMYFISJTRZ-AWEZNQCLSA-N
MW288.35 g/mol
LogP1.59
Rot. Bonds4

About 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 97279560) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID97279560
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCOc1cccc([C@@H]2CCN2C(=O)CN2CCCC2=O)c1
InChIInChI=1S/C16H20N2O3/c1-21-13-5-2-4-12(10-13)14-7-9-18(14)16(20)11-17-8-3-6-15(17)19/h2,4-5,10,14H,3,6-9,11H2,1H3/t14-/m0/s1
InChIKeyXPJVCMYFISJTRZ-AWEZNQCLSA-N
XLogP1.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97277567
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97282486
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97284050
3-methoxy-1-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97269461
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one
CID 137334837
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 74247323
2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one
CID 97285089
2-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 97152481
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 75866663

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 97279560) is 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is COc1cccc([C@@H]2CCN2C(=O)CN2CCCC2=O)c1.
What is the InChIKey of 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is XPJVCMYFISJTRZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-13-5-2-4-12(10-13)14-7-9-18(14)16(20)11-17-8-3-6-15(17)19/h2,4-5,10,14H,3,6-9,11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 97279560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).