azetidin-3-yl-(2,4,5-trimethylphenyl)methanone

C13H17NO — CID 116583626

IUPACazetidin-3-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CNC2)cc1C
InChIInChI=1S/C13H17NO/c1-8-4-10(3)12(5-9(8)2)13(15)11-6-14-7-11/h4-5,11,14H,6-7H2,1-3H3
InChIKeyHZQWEGHIWIQUPP-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.01
Rot. Bonds2

About azetidin-3-yl-(2,4,5-trimethylphenyl)methanone

azetidin-3-yl-(2,4,5-trimethylphenyl)methanone (PubChem CID 116583626) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is azetidin-3-yl-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(2,4,5-trimethylphenyl)methanone
PubChem CID116583626
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Nameazetidin-3-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CNC2)cc1C
InChIInChI=1S/C13H17NO/c1-8-4-10(3)12(5-9(8)2)13(15)11-6-14-7-11/h4-5,11,14H,6-7H2,1-3H3
InChIKeyHZQWEGHIWIQUPP-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116916740
(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
CID 65389610
(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone
CID 114278961
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 171947825
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 54428500
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride
CID 154910936

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of azetidin-3-yl-(2,4,5-trimethylphenyl)methanone (CID 116583626) is azetidin-3-yl-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for azetidin-3-yl-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for azetidin-3-yl-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CNC2)cc1C.
What is the InChIKey of azetidin-3-yl-(2,4,5-trimethylphenyl)methanone?
The InChIKey is HZQWEGHIWIQUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-4-10(3)12(5-9(8)2)13(15)11-6-14-7-11/h4-5,11,14H,6-7H2,1-3H3.
What are the key properties of azetidin-3-yl-(2,4,5-trimethylphenyl)methanone?
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone has a molecular weight of 203.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 116583626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).