propanoic acid;1H-pyrrole

C7H11NO2 — CID 19036931

IUPACpropanoic acid;1H-pyrrole
SMILESCCC(=O)O.c1cc[nH]c1
InChIInChI=1S/C4H5N.C3H6O2/c1-2-4-5-3-1;1-2-3(4)5/h1-5H;2H2,1H3,(H,4,5)
InChIKeyQUKUNZDPKPLYGS-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.50
Rot. Bonds1

About propanoic acid;1H-pyrrole

propanoic acid;1H-pyrrole (PubChem CID 19036931) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is propanoic acid;1H-pyrrole.

Molecular Properties

Compound Namepropanoic acid;1H-pyrrole
PubChem CID19036931
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namepropanoic acid;1H-pyrrole
SMILESCCC(=O)O.c1cc[nH]c1
InChIInChI=1S/C4H5N.C3H6O2/c1-2-4-5-3-1;1-2-3(4)5/h1-5H;2H2,1H3,(H,4,5)
InChIKeyQUKUNZDPKPLYGS-UHFFFAOYSA-N
XLogP1.50
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;1H-pyrrole?
The IUPAC name of propanoic acid;1H-pyrrole (CID 19036931) is propanoic acid;1H-pyrrole.
What is the SMILES notation for propanoic acid;1H-pyrrole?
The canonical SMILES for propanoic acid;1H-pyrrole is CCC(=O)O.c1cc[nH]c1.
What is the InChIKey of propanoic acid;1H-pyrrole?
The InChIKey is QUKUNZDPKPLYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C3H6O2/c1-2-4-5-3-1;1-2-3(4)5/h1-5H;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;1H-pyrrole?
propanoic acid;1H-pyrrole has a molecular weight of 141.17 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;1H-pyrrole is sourced from PubChem (CID 19036931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).