ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate

C15H14N2O3 — CID 140984035

IUPACethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C2Cc3ccccc3C2=O)[nH]1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)14-16-8-12(17-14)11-7-9-5-3-4-6-10(9)13(11)18/h3-6,8,11H,2,7H2,1H3,(H,16,17)
InChIKeyLAVJXUVFIHSCIQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.11
Rot. Bonds3

About ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate

ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate (PubChem CID 140984035) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate
PubChem CID140984035
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C2Cc3ccccc3C2=O)[nH]1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)14-16-8-12(17-14)11-7-9-5-3-4-6-10(9)13(11)18/h3-6,8,11H,2,7H2,1H3,(H,16,17)
InChIKeyLAVJXUVFIHSCIQ-UHFFFAOYSA-N
XLogP2.11
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate?
The IUPAC name of ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate (CID 140984035) is ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate?
The canonical SMILES for ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate is CCOC(=O)c1ncc(C2Cc3ccccc3C2=O)[nH]1.
What is the InChIKey of ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate?
The InChIKey is LAVJXUVFIHSCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-20-15(19)14-16-8-12(17-14)11-7-9-5-3-4-6-10(9)13(11)18/h3-6,8,11H,2,7H2,1H3,(H,16,17).
What are the key properties of ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate?
ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate is sourced from PubChem (CID 140984035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).