2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid

C6H10N2O2 — CID 84762696

IUPAC2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESCCC1=NCC(C(=O)O)N1
InChIInChI=1S/C6H10N2O2/c1-2-5-7-3-4(8-5)6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyFHUVMILNMUEZRU-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.15
Rot. Bonds2

About 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid

2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid (PubChem CID 84762696) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
PubChem CID84762696
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESCCC1=NCC(C(=O)O)N1
InChIInChI=1S/C6H10N2O2/c1-2-5-7-3-4(8-5)6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyFHUVMILNMUEZRU-UHFFFAOYSA-N
XLogP-0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid (CID 84762696) is 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid is CCC1=NCC(C(=O)O)N1.
What is the InChIKey of 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The InChIKey is FHUVMILNMUEZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-5-7-3-4(8-5)6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid has a molecular weight of 142.16 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 84762696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).