3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one

C10H11ClN2O — CID 112757920

IUPAC3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one
SMILESCC1C(N)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O/c1-6-9(12)10(14)13(6)8-4-2-3-7(11)5-8/h2-6,9H,12H2,1H3
InChIKeyJJYBUGWEEYVSCD-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.40
Rot. Bonds1

About 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one

3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one (PubChem CID 112757920) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one
PubChem CID112757920
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one
SMILESCC1C(N)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O/c1-6-9(12)10(14)13(6)8-4-2-3-7(11)5-8/h2-6,9H,12H2,1H3
InChIKeyJJYBUGWEEYVSCD-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503553
3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536929
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536951
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503651
3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one
CID 70547159
3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one
CID 71372658
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503896
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
CID 124503517

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one?
The IUPAC name of 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one (CID 112757920) is 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one.
What is the SMILES notation for 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one?
The canonical SMILES for 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one is CC1C(N)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one?
The InChIKey is JJYBUGWEEYVSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6-9(12)10(14)13(6)8-4-2-3-7(11)5-8/h2-6,9H,12H2,1H3.
What are the key properties of 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one?
3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one is sourced from PubChem (CID 112757920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).