1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid

C9H12N2O3 — CID 175228781

IUPAC1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-3-11-6-4-5-14-8(6)10(2)7(11)9(12)13/h4-5,7H,3H2,1-2H3,(H,12,13)
InChIKeyDYTIJLCNEUGSOI-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.97
Rot. Bonds2

About 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid

1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 175228781) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
PubChem CID175228781
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-3-11-6-4-5-14-8(6)10(2)7(11)9(12)13/h4-5,7H,3H2,1-2H3,(H,12,13)
InChIKeyDYTIJLCNEUGSOI-UHFFFAOYSA-N
XLogP0.97
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-furo[2,3-d]imidazole
CID 58996134
1,3-Dihydrofuro[2,3-d]imidazol-2-one
CID 69288328
5-amino-1-methyl-3H-furo[2,3-d]imidazol-2-one
CID 69288376
1-methyl-3H-furo[2,3-d]imidazol-2-one
CID 69289798
3-Hydroxy-1,2-dihydrofuro[2,3-d]imidazole
CID 69607920
3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228766
1-hexadecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228769
3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228789
3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228823
1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228841
3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228847
1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228850

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (CID 175228781) is 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is CCN1c2ccoc2N(C)C1C(=O)O.
What is the InChIKey of 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is DYTIJLCNEUGSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-11-6-4-5-14-8(6)10(2)7(11)9(12)13/h4-5,7H,3H2,1-2H3,(H,12,13).
What are the key properties of 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 175228781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).