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

C4H6N2O2 — CID 18000706

IUPAC4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESO=C(O)C1CN=CN1
InChIInChI=1S/C4H6N2O2/c7-4(8)3-1-5-2-6-3/h2-3H,1H2,(H,5,6)(H,7,8)
InChIKeyYPXMNQUCQFBNRH-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.93
Rot. Bonds1

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

4,5-dihydro-1H-imidazole-5-carboxylic acid (PubChem CID 18000706) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole-5-carboxylic acid
PubChem CID18000706
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESO=C(O)C1CN=CN1
InChIInChI=1S/C4H6N2O2/c7-4(8)3-1-5-2-6-3/h2-3H,1H2,(H,5,6)(H,7,8)
InChIKeyYPXMNQUCQFBNRH-UHFFFAOYSA-N
XLogP-0.93
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4,5-dihydro-1H-imidazole-5-carboxylic acid (CID 18000706) is 4,5-dihydro-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4,5-dihydro-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4,5-dihydro-1H-imidazole-5-carboxylic acid is O=C(O)C1CN=CN1.
What is the InChIKey of 4,5-dihydro-1H-imidazole-5-carboxylic acid?
The InChIKey is YPXMNQUCQFBNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-4(8)3-1-5-2-6-3/h2-3H,1H2,(H,5,6)(H,7,8).
What are the key properties of 4,5-dihydro-1H-imidazole-5-carboxylic acid?
4,5-dihydro-1H-imidazole-5-carboxylic acid has a molecular weight of 114.10 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 18000706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).