1-hydroxy-3-propylpyrrole

C7H11NO — CID 150831395

IUPAC1-hydroxy-3-propylpyrrole
SMILESCCCc1ccn(O)c1
InChIInChI=1S/C7H11NO/c1-2-3-7-4-5-8(9)6-7/h4-6,9H,2-3H2,1H3
InChIKeyKMASMABZTDYYKV-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.68
Rot. Bonds2

About 1-hydroxy-3-propylpyrrole

1-hydroxy-3-propylpyrrole (PubChem CID 150831395) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-hydroxy-3-propylpyrrole.

Molecular Properties

Compound Name1-hydroxy-3-propylpyrrole
PubChem CID150831395
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-hydroxy-3-propylpyrrole
SMILESCCCc1ccn(O)c1
InChIInChI=1S/C7H11NO/c1-2-3-7-4-5-8(9)6-7/h4-6,9H,2-3H2,1H3
InChIKeyKMASMABZTDYYKV-UHFFFAOYSA-N
XLogP1.68
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-propylpyrrole?
The IUPAC name of 1-hydroxy-3-propylpyrrole (CID 150831395) is 1-hydroxy-3-propylpyrrole.
What is the SMILES notation for 1-hydroxy-3-propylpyrrole?
The canonical SMILES for 1-hydroxy-3-propylpyrrole is CCCc1ccn(O)c1.
What is the InChIKey of 1-hydroxy-3-propylpyrrole?
The InChIKey is KMASMABZTDYYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-7-4-5-8(9)6-7/h4-6,9H,2-3H2,1H3.
What are the key properties of 1-hydroxy-3-propylpyrrole?
1-hydroxy-3-propylpyrrole has a molecular weight of 125.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-propylpyrrole is sourced from PubChem (CID 150831395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).