5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol

C13H23NO2 — CID 79109219

IUPAC5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol
SMILESCCCC(O)c1ccn(CCCCCO)c1
InChIInChI=1S/C13H23NO2/c1-2-6-13(16)12-7-9-14(11-12)8-4-3-5-10-15/h7,9,11,13,15-16H,2-6,8,10H2,1H3
InChIKeyKAEFXOJROMESKC-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.48
Rot. Bonds8

About 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol

5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol (PubChem CID 79109219) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol
PubChem CID79109219
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol
SMILESCCCC(O)c1ccn(CCCCCO)c1
InChIInChI=1S/C13H23NO2/c1-2-6-13(16)12-7-9-14(11-12)8-4-3-5-10-15/h7,9,11,13,15-16H,2-6,8,10H2,1H3
InChIKeyKAEFXOJROMESKC-UHFFFAOYSA-N
XLogP2.48
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]butan-1-ol
CID 114526149
6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol
CID 107705862
1-(1-pent-3-ynylpyrrol-3-yl)butan-1-ol
CID 104809209
3-[3-(1-hydroxyethyl)pyrrol-1-yl]propan-1-ol
CID 79107179
1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
CID 79109993
1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
CID 79110104
1-(1-but-2-enylpyrrol-3-yl)butan-1-ol
CID 79109051
2-[2-[3-(1-hydroxybutyl)pyrrol-1-yl]ethoxy]propanenitrile
CID 114266638
4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109233
N-(cyanomethyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79108060
1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol?
The IUPAC name of 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol (CID 79109219) is 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol is CCCC(O)c1ccn(CCCCCO)c1.
What is the InChIKey of 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol?
The InChIKey is KAEFXOJROMESKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-6-13(16)12-7-9-14(11-12)8-4-3-5-10-15/h7,9,11,13,15-16H,2-6,8,10H2,1H3.
What are the key properties of 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol?
5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol is sourced from PubChem (CID 79109219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).