2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one

C14H19NO — CID 116680775

IUPAC2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)C2CNC2)c1C
InChIInChI=1S/C14H19NO/c1-9-5-4-6-13(10(9)2)14(16)11(3)12-7-15-8-12/h4-6,11-12,15H,7-8H2,1-3H3
InChIKeyDMCVJMFOLRSVPT-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.34
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one

2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one (PubChem CID 116680775) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one
PubChem CID116680775
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)C2CNC2)c1C
InChIInChI=1S/C14H19NO/c1-9-5-4-6-13(10(9)2)14(16)11(3)12-7-15-8-12/h4-6,11-12,15H,7-8H2,1-3H3
InChIKeyDMCVJMFOLRSVPT-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one
CID 114748121
2,2-di(cyclobutyl)-1-(2,3-dimethylphenyl)ethanone
CID 112743626
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
CID 114748122
(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,2,3-trimethylbenzamide
CID 114088803
1-(2,3-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 137331652
2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 116680644
N,2,3-trimethyl-N-piperidin-3-ylbenzamide
CID 54923746
(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982352
1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one
CID 116707669
1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586829
2,3-dimethyl-N-(5-methylpiperidin-3-yl)benzamide
CID 107585123

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one (CID 116680775) is 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one is Cc1cccc(C(=O)C(C)C2CNC2)c1C.
What is the InChIKey of 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one?
The InChIKey is DMCVJMFOLRSVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-5-4-6-13(10(9)2)14(16)11(3)12-7-15-8-12/h4-6,11-12,15H,7-8H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one?
2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one is sourced from PubChem (CID 116680775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).