3-amino-4-(2,4-dimethylphenyl)azetidin-2-one

C11H14N2O — CID 82403930

IUPAC3-amino-4-(2,4-dimethylphenyl)azetidin-2-one
SMILESCc1ccc(C2NC(=O)C2N)c(C)c1
InChIInChI=1S/C11H14N2O/c1-6-3-4-8(7(2)5-6)10-9(12)11(14)13-10/h3-5,9-10H,12H2,1-2H3,(H,13,14)
InChIKeyJEXDJMNEMKSJMI-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.80
Rot. Bonds1

About 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one

3-amino-4-(2,4-dimethylphenyl)azetidin-2-one (PubChem CID 82403930) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-4-(2,4-dimethylphenyl)azetidin-2-one
PubChem CID82403930
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-amino-4-(2,4-dimethylphenyl)azetidin-2-one
SMILESCc1ccc(C2NC(=O)C2N)c(C)c1
InChIInChI=1S/C11H14N2O/c1-6-3-4-8(7(2)5-6)10-9(12)11(14)13-10/h3-5,9-10H,12H2,1-2H3,(H,13,14)
InChIKeyJEXDJMNEMKSJMI-UHFFFAOYSA-N
XLogP0.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione
CID 54018694
2-(2,4-dimethylphenyl)pyrrolidin-3-ol
CID 82403233
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 106695027
3-amino-6-methyl-1,3-dihydroindol-2-one
CID 71306235
(2S,3S)-2-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 82392927
3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one
CID 175325758
5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 122367160
3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione
CID 19975272
methyl (4S,5R)-4-(2,4-dimethylphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2377256
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116979999

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one?
The IUPAC name of 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one (CID 82403930) is 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one is Cc1ccc(C2NC(=O)C2N)c(C)c1.
What is the InChIKey of 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one?
The InChIKey is JEXDJMNEMKSJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-6-3-4-8(7(2)5-6)10-9(12)11(14)13-10/h3-5,9-10H,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one?
3-amino-4-(2,4-dimethylphenyl)azetidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,4-dimethylphenyl)azetidin-2-one is sourced from PubChem (CID 82403930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).