3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one

C15H16N2O2 — CID 102537098

IUPAC3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one
SMILESCc1ccc(C2C(N)C(=O)N2Cc2ccccc2)o1
InChIInChI=1S/C15H16N2O2/c1-10-7-8-12(19-10)14-13(16)15(18)17(14)9-11-5-3-2-4-6-11/h2-8,13-14H,9,16H2,1H3
InChIKeyHZLPTKYQSRNJBZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one

3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one (PubChem CID 102537098) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one
PubChem CID102537098
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one
SMILESCc1ccc(C2C(N)C(=O)N2Cc2ccccc2)o1
InChIInChI=1S/C15H16N2O2/c1-10-7-8-12(19-10)14-13(16)15(18)17(14)9-11-5-3-2-4-6-11/h2-8,13-14H,9,16H2,1H3
InChIKeyHZLPTKYQSRNJBZ-UHFFFAOYSA-N
XLogP2.00
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one
CID 124504268
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
CID 124504287
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride
CID 141084950
3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 102537109
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one
CID 70575146
(4Z)-4-[hydroxy(phenyl)methylidene]-5-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CID 108660110
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
(4Z)-4-[hydroxy(phenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108609555

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one?
The IUPAC name of 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one (CID 102537098) is 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one?
The canonical SMILES for 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one is Cc1ccc(C2C(N)C(=O)N2Cc2ccccc2)o1.
What is the InChIKey of 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one?
The InChIKey is HZLPTKYQSRNJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-7-8-12(19-10)14-13(16)15(18)17(14)9-11-5-3-2-4-6-11/h2-8,13-14H,9,16H2,1H3.
What are the key properties of 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one?
3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one is sourced from PubChem (CID 102537098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).