2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid

C9H12N2O2 — CID 83828167

IUPAC2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid
SMILESCc1nc2n(c1C)CCC2C(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-6(2)11-4-3-7(9(12)13)8(11)10-5/h7H,3-4H2,1-2H3,(H,12,13)
InChIKeyIXGYRTGAIROTOE-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.07
Rot. Bonds1

About 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid

2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid (PubChem CID 83828167) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid
PubChem CID83828167
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid
SMILESCc1nc2n(c1C)CCC2C(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-6(2)11-4-3-7(9(12)13)8(11)10-5/h7H,3-4H2,1-2H3,(H,12,13)
InChIKeyIXGYRTGAIROTOE-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83830664
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567773
4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 83897080
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152080
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151946
3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
CID 146049793
2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096061
2-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157199
3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82391986
1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 102805640
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid
CID 83873592
5-(2,2-dimethylpropanoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487072

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid?
The IUPAC name of 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid (CID 83828167) is 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid is Cc1nc2n(c1C)CCC2C(=O)O.
What is the InChIKey of 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid?
The InChIKey is IXGYRTGAIROTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-6(2)11-4-3-7(9(12)13)8(11)10-5/h7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid?
2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid is sourced from PubChem (CID 83828167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).