4-pyrrol-1-ylbutanoic acid

C8H11NO2 — CID 10419380

IUPAC4-pyrrol-1-ylbutanoic acid
SMILESO=C(O)CCCn1cccc1
InChIInChI=1S/C8H11NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2,(H,10,11)
InChIKeyHFOJQSTXILTKIT-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.35
Rot. Bonds4

About 4-pyrrol-1-ylbutanoic acid

4-pyrrol-1-ylbutanoic acid (PubChem CID 10419380) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-pyrrol-1-ylbutanoic acid.

Molecular Properties

Compound Name4-pyrrol-1-ylbutanoic acid
PubChem CID10419380
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-pyrrol-1-ylbutanoic acid
SMILESO=C(O)CCCn1cccc1
InChIInChI=1S/C8H11NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2,(H,10,11)
InChIKeyHFOJQSTXILTKIT-UHFFFAOYSA-N
XLogP1.35
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-ylbutanoic acid?
The IUPAC name of 4-pyrrol-1-ylbutanoic acid (CID 10419380) is 4-pyrrol-1-ylbutanoic acid.
What is the SMILES notation for 4-pyrrol-1-ylbutanoic acid?
The canonical SMILES for 4-pyrrol-1-ylbutanoic acid is O=C(O)CCCn1cccc1.
What is the InChIKey of 4-pyrrol-1-ylbutanoic acid?
The InChIKey is HFOJQSTXILTKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2,(H,10,11).
What are the key properties of 4-pyrrol-1-ylbutanoic acid?
4-pyrrol-1-ylbutanoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-ylbutanoic acid is sourced from PubChem (CID 10419380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).