ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate

C15H15N3O5 — CID 89015621

IUPACethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cccc(-n2cncc2C(=O)OCC)c1N=O
InChIInChI=1S/C15H15N3O5/c1-3-22-14(19)10-6-5-7-11(13(10)17-21)18-9-16-8-12(18)15(20)23-4-2/h5-9H,3-4H2,1-2H3
InChIKeyNMGLCVRVXJRTOS-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.62
Rot. Bonds6

About ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate

ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate (PubChem CID 89015621) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate
PubChem CID89015621
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Nameethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cccc(-n2cncc2C(=O)OCC)c1N=O
InChIInChI=1S/C15H15N3O5/c1-3-22-14(19)10-6-5-7-11(13(10)17-21)18-9-16-8-12(18)15(20)23-4-2/h5-9H,3-4H2,1-2H3
InChIKeyNMGLCVRVXJRTOS-UHFFFAOYSA-N
XLogP2.62
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate
CID 155342529
ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
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ethyl 3-[2-(1,2-dibromopropan-2-yl)-6-methylphenyl]imidazole-4-carboxylate
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ethane;ethyl 3-(1H-pyrazol-5-yl)imidazole-4-carboxylate
CID 142316978
ethyl 3-(3H-isoindol-1-yl)imidazole-4-carboxylate
CID 159425134
ethane;ethyl 3-aminoimidazole-4-carboxylate
CID 145329621
ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate
CID 134397415
ethyl 2-amino-3-(3-cyano-1,2,4-triazol-1-yl)benzoate
CID 115546816
ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
CID 11436139
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
CID 89022273
CID 89022273
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate (CID 89015621) is ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate is CCOC(=O)c1cccc(-n2cncc2C(=O)OCC)c1N=O.
What is the InChIKey of ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate?
The InChIKey is NMGLCVRVXJRTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-3-22-14(19)10-6-5-7-11(13(10)17-21)18-9-16-8-12(18)15(20)23-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate?
ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate has a molecular weight of 317.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 89015621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).