2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid

C7H11NO2 — CID 55300990

IUPAC2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid
SMILESCC1=NC(C)(C(=O)O)CC1
InChIInChI=1S/C7H11NO2/c1-5-3-4-7(2,8-5)6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyCSFXHFQMLSZDMZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.08
Rot. Bonds1

About 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid

2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid (PubChem CID 55300990) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid
PubChem CID55300990
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid
SMILESCC1=NC(C)(C(=O)O)CC1
InChIInChI=1S/C7H11NO2/c1-5-3-4-7(2,8-5)6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyCSFXHFQMLSZDMZ-UHFFFAOYSA-N
XLogP1.08
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid?
The IUPAC name of 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid (CID 55300990) is 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid is CC1=NC(C)(C(=O)O)CC1.
What is the InChIKey of 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid?
The InChIKey is CSFXHFQMLSZDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-4-7(2,8-5)6(9)10/h3-4H2,1-2H3,(H,9,10).
What are the key properties of 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid?
2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-dihydropyrrole-2-carboxylic acid is sourced from PubChem (CID 55300990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).