1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one

C14H17NO3 — CID 136556774

IUPAC1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one
SMILESCC1(COc2cccc(N3CCC3=O)c2)COC1
InChIInChI=1S/C14H17NO3/c1-14(8-17-9-14)10-18-12-4-2-3-11(7-12)15-6-5-13(15)16/h2-4,7H,5-6,8-10H2,1H3
InChIKeySKFPYXBUEZELBA-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.84
Rot. Bonds4

About 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one

1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one (PubChem CID 136556774) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one.

Molecular Properties

Compound Name1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one
PubChem CID136556774
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one
SMILESCC1(COc2cccc(N3CCC3=O)c2)COC1
InChIInChI=1S/C14H17NO3/c1-14(8-17-9-14)10-18-12-4-2-3-11(7-12)15-6-5-13(15)16/h2-4,7H,5-6,8-10H2,1H3
InChIKeySKFPYXBUEZELBA-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
CID 63570883
4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
CID 165482189
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane
CID 20706940
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 165130586
(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane
CID 160629568

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one?
The IUPAC name of 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one (CID 136556774) is 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one.
What is the SMILES notation for 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one?
The canonical SMILES for 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one is CC1(COc2cccc(N3CCC3=O)c2)COC1.
What is the InChIKey of 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one?
The InChIKey is SKFPYXBUEZELBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(8-17-9-14)10-18-12-4-2-3-11(7-12)15-6-5-13(15)16/h2-4,7H,5-6,8-10H2,1H3.
What are the key properties of 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one?
1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one is sourced from PubChem (CID 136556774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).