ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate

C10H11N3O4 — CID 135063947

IUPACethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate
SMILESCCOC(=O)C(C)(N=[N+]=[N-])C(=O)c1ccco1
InChIInChI=1S/C10H11N3O4/c1-3-16-9(15)10(2,12-13-11)8(14)7-5-4-6-17-7/h4-6H,3H2,1-2H3
InChIKeyQRNKEQGPDQOVBK-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.09
Rot. Bonds5

About ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate

ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate (PubChem CID 135063947) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate
PubChem CID135063947
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Nameethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate
SMILESCCOC(=O)C(C)(N=[N+]=[N-])C(=O)c1ccco1
InChIInChI=1S/C10H11N3O4/c1-3-16-9(15)10(2,12-13-11)8(14)7-5-4-6-17-7/h4-6H,3H2,1-2H3
InChIKeyQRNKEQGPDQOVBK-UHFFFAOYSA-N
XLogP2.09
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate
CID 14249560
ethyl 3-(furan-2-yl)-2,2-dimethyl-3-oxopropanoate;ethyl 3-(furan-2-yl)-2-methyl-3-oxopropanoate
CID 159262713
diethyl 2-azido-2-phenylpropanedioate
CID 14066098
ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate
CID 66813687
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
diethyl 2-(furan-2-yl)-2-hydroxypropanedioate
CID 12836548
ethyl (3S)-4-(furan-2-yl)-3-methyl-4-oxobutanoate
CID 134968543
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
ethyl [N-(4-chlorophenyl)-C-[1-(furan-2-yl)-2-methyl-1-oxopropan-2-yl]carbonimidoyl]selanylformate
CID 102415554
sodium;ethyl 3-(furan-2-yl)-3-oxopropanoate;hydride
CID 175451832
diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate
CID 139074499

Frequently Asked Questions

What is the IUPAC name of ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate?
The IUPAC name of ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate (CID 135063947) is ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate.
What is the SMILES notation for ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate?
The canonical SMILES for ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate is CCOC(=O)C(C)(N=[N+]=[N-])C(=O)c1ccco1.
What is the InChIKey of ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate?
The InChIKey is QRNKEQGPDQOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-3-16-9(15)10(2,12-13-11)8(14)7-5-4-6-17-7/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate?
ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate has a molecular weight of 237.22 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate is sourced from PubChem (CID 135063947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).