1-methylpyrrole;propanoic acid

C8H13NO2 — CID 67687799

IUPAC1-methylpyrrole;propanoic acid
SMILESCCC(=O)O.Cn1cccc1
InChIInChI=1S/C5H7N.C3H6O2/c1-6-4-2-3-5-6;1-2-3(4)5/h2-5H,1H3;2H2,1H3,(H,4,5)
InChIKeyKIVYDROBAXNUSR-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.51
Rot. Bonds1

About 1-methylpyrrole;propanoic acid

1-methylpyrrole;propanoic acid (PubChem CID 67687799) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-methylpyrrole;propanoic acid.

Molecular Properties

Compound Name1-methylpyrrole;propanoic acid
PubChem CID67687799
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-methylpyrrole;propanoic acid
SMILESCCC(=O)O.Cn1cccc1
InChIInChI=1S/C5H7N.C3H6O2/c1-6-4-2-3-5-6;1-2-3(4)5/h2-5H,1H3;2H2,1H3,(H,4,5)
InChIKeyKIVYDROBAXNUSR-UHFFFAOYSA-N
XLogP1.51
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole;propanoic acid?
The IUPAC name of 1-methylpyrrole;propanoic acid (CID 67687799) is 1-methylpyrrole;propanoic acid.
What is the SMILES notation for 1-methylpyrrole;propanoic acid?
The canonical SMILES for 1-methylpyrrole;propanoic acid is CCC(=O)O.Cn1cccc1.
What is the InChIKey of 1-methylpyrrole;propanoic acid?
The InChIKey is KIVYDROBAXNUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C3H6O2/c1-6-4-2-3-5-6;1-2-3(4)5/h2-5H,1H3;2H2,1H3,(H,4,5).
What are the key properties of 1-methylpyrrole;propanoic acid?
1-methylpyrrole;propanoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole;propanoic acid is sourced from PubChem (CID 67687799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).