1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol

C8H15NO — CID 130510282

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol
SMILESCCCC(O)C1C=CCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5,7-10H,2,4,6H2,1H3
InChIKeyIFGUHXFQPKFBRU-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds3

About 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol

1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol (PubChem CID 130510282) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol
PubChem CID130510282
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol
SMILESCCCC(O)C1C=CCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5,7-10H,2,4,6H2,1H3
InChIKeyIFGUHXFQPKFBRU-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol (CID 130510282) is 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol is CCCC(O)C1C=CCN1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol?
The InChIKey is IFGUHXFQPKFBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5,7-10H,2,4,6H2,1H3.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol?
1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrol-2-yl)butan-1-ol is sourced from PubChem (CID 130510282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).