ethane;ethyl 1H-imidazole-2-carboxylate

C10H20N2O2 — CID 143717895

IUPACethane;ethyl 1H-imidazole-2-carboxylate
SMILESCC.CC.CCOC(=O)c1ncc[nH]1
InChIInChI=1S/C6H8N2O2.2C2H6/c1-2-10-6(9)5-7-3-4-8-5;2*1-2/h3-4H,2H2,1H3,(H,7,8);2*1-2H3
InChIKeyWTEQKFRSBRPQSI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.64
Rot. Bonds2

About ethane;ethyl 1H-imidazole-2-carboxylate

ethane;ethyl 1H-imidazole-2-carboxylate (PubChem CID 143717895) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethane;ethyl 1H-imidazole-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 1H-imidazole-2-carboxylate
PubChem CID143717895
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethane;ethyl 1H-imidazole-2-carboxylate
SMILESCC.CC.CCOC(=O)c1ncc[nH]1
InChIInChI=1S/C6H8N2O2.2C2H6/c1-2-10-6(9)5-7-3-4-8-5;2*1-2/h3-4H,2H2,1H3,(H,7,8);2*1-2H3
InChIKeyWTEQKFRSBRPQSI-UHFFFAOYSA-N
XLogP2.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 1H-imidazole-2-carboxylate?
The IUPAC name of ethane;ethyl 1H-imidazole-2-carboxylate (CID 143717895) is ethane;ethyl 1H-imidazole-2-carboxylate.
What is the SMILES notation for ethane;ethyl 1H-imidazole-2-carboxylate?
The canonical SMILES for ethane;ethyl 1H-imidazole-2-carboxylate is CC.CC.CCOC(=O)c1ncc[nH]1.
What is the InChIKey of ethane;ethyl 1H-imidazole-2-carboxylate?
The InChIKey is WTEQKFRSBRPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.2C2H6/c1-2-10-6(9)5-7-3-4-8-5;2*1-2/h3-4H,2H2,1H3,(H,7,8);2*1-2H3.
What are the key properties of ethane;ethyl 1H-imidazole-2-carboxylate?
ethane;ethyl 1H-imidazole-2-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1H-imidazole-2-carboxylate is sourced from PubChem (CID 143717895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).