1-(1H-pyrrol-2-yl)butan-1-ol

C8H13NO — CID 57024972

IUPAC1-(1H-pyrrol-2-yl)butan-1-ol
SMILESCCCC(O)c1ccc[nH]1
InChIInChI=1S/C8H13NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5-6,8-10H,2,4H2,1H3
InChIKeyGCNNZAXZRIQWQY-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.85
Rot. Bonds3

About 1-(1H-pyrrol-2-yl)butan-1-ol

1-(1H-pyrrol-2-yl)butan-1-ol (PubChem CID 57024972) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)butan-1-ol
PubChem CID57024972
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(1H-pyrrol-2-yl)butan-1-ol
SMILESCCCC(O)c1ccc[nH]1
InChIInChI=1S/C8H13NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5-6,8-10H,2,4H2,1H3
InChIKeyGCNNZAXZRIQWQY-UHFFFAOYSA-N
XLogP1.85
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)butan-1-ol?
The IUPAC name of 1-(1H-pyrrol-2-yl)butan-1-ol (CID 57024972) is 1-(1H-pyrrol-2-yl)butan-1-ol.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)butan-1-ol?
The canonical SMILES for 1-(1H-pyrrol-2-yl)butan-1-ol is CCCC(O)c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)butan-1-ol?
The InChIKey is GCNNZAXZRIQWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5-6,8-10H,2,4H2,1H3.
What are the key properties of 1-(1H-pyrrol-2-yl)butan-1-ol?
1-(1H-pyrrol-2-yl)butan-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)butan-1-ol is sourced from PubChem (CID 57024972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).