2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid

C7H11NO2 — CID 59878527

IUPAC2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid
SMILESCN1CC=C(CC(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-8-3-2-6(5-8)4-7(9)10/h2H,3-5H2,1H3,(H,9,10)
InChIKeyHCBIISCUPPUFEQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.33
Rot. Bonds2

About 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid

2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid (PubChem CID 59878527) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid
PubChem CID59878527
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid
SMILESCN1CC=C(CC(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-8-3-2-6(5-8)4-7(9)10/h2H,3-5H2,1H3,(H,9,10)
InChIKeyHCBIISCUPPUFEQ-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid (CID 59878527) is 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid is CN1CC=C(CC(=O)O)C1.
What is the InChIKey of 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid?
The InChIKey is HCBIISCUPPUFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-3-2-6(5-8)4-7(9)10/h2H,3-5H2,1H3,(H,9,10).
What are the key properties of 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid?
2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid has a molecular weight of 141.17 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,5-dihydropyrrol-3-yl)acetic acid is sourced from PubChem (CID 59878527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).