3-hexyl-1H-pyrrol-2-ol

C10H17NO — CID 140967880

IUPAC3-hexyl-1H-pyrrol-2-ol
SMILESCCCCCCc1cc[nH]c1O
InChIInChI=1S/C10H17NO/c1-2-3-4-5-6-9-7-8-11-10(9)12/h7-8,11-12H,2-6H2,1H3
InChIKeyVJTQSRFPMGCEQF-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.84
Rot. Bonds5

About 3-hexyl-1H-pyrrol-2-ol

3-hexyl-1H-pyrrol-2-ol (PubChem CID 140967880) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-hexyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name3-hexyl-1H-pyrrol-2-ol
PubChem CID140967880
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-hexyl-1H-pyrrol-2-ol
SMILESCCCCCCc1cc[nH]c1O
InChIInChI=1S/C10H17NO/c1-2-3-4-5-6-9-7-8-11-10(9)12/h7-8,11-12H,2-6H2,1H3
InChIKeyVJTQSRFPMGCEQF-UHFFFAOYSA-N
XLogP2.84
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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copper;3-pentyl-1H-pyrrol-2-ol;sulfate
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CID 174987757
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
(2-pentyl-1H-pyrrol-3-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-1H-pyrrol-2-ol?
The IUPAC name of 3-hexyl-1H-pyrrol-2-ol (CID 140967880) is 3-hexyl-1H-pyrrol-2-ol.
What is the SMILES notation for 3-hexyl-1H-pyrrol-2-ol?
The canonical SMILES for 3-hexyl-1H-pyrrol-2-ol is CCCCCCc1cc[nH]c1O.
What is the InChIKey of 3-hexyl-1H-pyrrol-2-ol?
The InChIKey is VJTQSRFPMGCEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-6-9-7-8-11-10(9)12/h7-8,11-12H,2-6H2,1H3.
What are the key properties of 3-hexyl-1H-pyrrol-2-ol?
3-hexyl-1H-pyrrol-2-ol has a molecular weight of 167.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1H-pyrrol-2-ol is sourced from PubChem (CID 140967880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).