1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one

C19H19NO — CID 71583395

IUPAC1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one
SMILESO=C1CCN1c1ccc(CC2Cc3ccccc3C2)cc1
InChIInChI=1S/C19H19NO/c21-19-9-10-20(19)18-7-5-14(6-8-18)11-15-12-16-3-1-2-4-17(16)13-15/h1-8,15H,9-13H2
InChIKeyJPLXTXQETZPTMI-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.38
Rot. Bonds3

About 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one

1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one (PubChem CID 71583395) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one
PubChem CID71583395
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one
SMILESO=C1CCN1c1ccc(CC2Cc3ccccc3C2)cc1
InChIInChI=1S/C19H19NO/c21-19-9-10-20(19)18-7-5-14(6-8-18)11-15-12-16-3-1-2-4-17(16)13-15/h1-8,15H,9-13H2
InChIKeyJPLXTXQETZPTMI-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one
CID 171834808
benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene
CID 170633594
2-[4-(aminomethyl)phenyl]-3,4-dihydroisoquinolin-1-one
CID 83084191
1-[4-[bis(2-chloroethyl)amino]phenyl]azetidin-2-one
CID 101156578
1-[4-[[(2S,3S,4R,5R)-2-benzyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-2-one
CID 155997985
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-[4-(1-oxo-3,4-dihydroisoquinolin-2-yl)phenyl]acetonitrile
CID 83083977
2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8538965
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
CID 107079450
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 167807671
1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325904

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one (CID 71583395) is 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one is O=C1CCN1c1ccc(CC2Cc3ccccc3C2)cc1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one?
The InChIKey is JPLXTXQETZPTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c21-19-9-10-20(19)18-7-5-14(6-8-18)11-15-12-16-3-1-2-4-17(16)13-15/h1-8,15H,9-13H2.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one?
1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 71583395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).