4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one

C14H15N3O4 — CID 54501513

IUPAC4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)CC2C(=O)C=[N+]=[N-])c(OC)c1
InChIInChI=1S/C14H15N3O4/c1-20-10-4-3-9(13(5-10)21-2)8-17-11(6-14(17)19)12(18)7-16-15/h3-5,7,11H,6,8H2,1-2H3
InChIKeyYCTJGQAFIHVNTB-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.67
Rot. Bonds6

About 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one

4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one (PubChem CID 54501513) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one
PubChem CID54501513
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)CC2C(=O)C=[N+]=[N-])c(OC)c1
InChIInChI=1S/C14H15N3O4/c1-20-10-4-3-9(13(5-10)21-2)8-17-11(6-14(17)19)12(18)7-16-15/h3-5,7,11H,6,8H2,1-2H3
InChIKeyYCTJGQAFIHVNTB-UHFFFAOYSA-N
XLogP0.67
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
(3aS,7aS)-1-[(2,4-dimethoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydroindole-2,6-dione
CID 124567118
(5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one
CID 91919581
(4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3,4-dihydropyridin-2-one
CID 102049603
1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 64971367
1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-4-methylpyrrolidin-2-one
CID 131734574
N-[1-[(2,4-dimethoxyphenyl)methyl]-2-(hydroxymethyl)-4-oxoazetidin-3-yl]acetamide
CID 21244479
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
N-[[(3aS,4R,5S,6aR)-1-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide
CID 146118435

Frequently Asked Questions

What is the IUPAC name of 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one?
The IUPAC name of 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one (CID 54501513) is 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one.
What is the SMILES notation for 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one?
The canonical SMILES for 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one is COc1ccc(CN2C(=O)CC2C(=O)C=[N+]=[N-])c(OC)c1.
What is the InChIKey of 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one?
The InChIKey is YCTJGQAFIHVNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-10-4-3-9(13(5-10)21-2)8-17-11(6-14(17)19)12(18)7-16-15/h3-5,7,11H,6,8H2,1-2H3.
What are the key properties of 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one?
4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one has a molecular weight of 289.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 54501513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).