2-(2-methylpyrrol-2-yl)acetic acid

C7H9NO2 — CID 21188403

IUPAC2-(2-methylpyrrol-2-yl)acetic acid
SMILESCC1(CC(=O)O)C=CC=N1
InChIInChI=1S/C7H9NO2/c1-7(5-6(9)10)3-2-4-8-7/h2-4H,5H2,1H3,(H,9,10)
InChIKeyHPTAMGHYTLAWDA-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.86
Rot. Bonds2

About 2-(2-methylpyrrol-2-yl)acetic acid

2-(2-methylpyrrol-2-yl)acetic acid (PubChem CID 21188403) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(2-methylpyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylpyrrol-2-yl)acetic acid
PubChem CID21188403
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-(2-methylpyrrol-2-yl)acetic acid
SMILESCC1(CC(=O)O)C=CC=N1
InChIInChI=1S/C7H9NO2/c1-7(5-6(9)10)3-2-4-8-7/h2-4H,5H2,1H3,(H,9,10)
InChIKeyHPTAMGHYTLAWDA-UHFFFAOYSA-N
XLogP0.86
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrol-2-yl)acetic acid?
The IUPAC name of 2-(2-methylpyrrol-2-yl)acetic acid (CID 21188403) is 2-(2-methylpyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(2-methylpyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(2-methylpyrrol-2-yl)acetic acid is CC1(CC(=O)O)C=CC=N1.
What is the InChIKey of 2-(2-methylpyrrol-2-yl)acetic acid?
The InChIKey is HPTAMGHYTLAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-7(5-6(9)10)3-2-4-8-7/h2-4H,5H2,1H3,(H,9,10).
What are the key properties of 2-(2-methylpyrrol-2-yl)acetic acid?
2-(2-methylpyrrol-2-yl)acetic acid has a molecular weight of 139.15 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrol-2-yl)acetic acid is sourced from PubChem (CID 21188403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).