6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol

C11H19NO2 — CID 107705762

IUPAC6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol
SMILESOCCCCCCn1ccc(CO)c1
InChIInChI=1S/C11H19NO2/c13-8-4-2-1-3-6-12-7-5-11(9-12)10-14/h5,7,9,13-14H,1-4,6,8,10H2
InChIKeySXWRMPKHRBJXSX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.53
Rot. Bonds7

About 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol

6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol (PubChem CID 107705762) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol
PubChem CID107705762
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol
SMILESOCCCCCCn1ccc(CO)c1
InChIInChI=1S/C11H19NO2/c13-8-4-2-1-3-6-12-7-5-11(9-12)10-14/h5,7,9,13-14H,1-4,6,8,10H2
InChIKeySXWRMPKHRBJXSX-UHFFFAOYSA-N
XLogP1.53
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol?
The IUPAC name of 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol (CID 107705762) is 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol is OCCCCCCn1ccc(CO)c1.
What is the InChIKey of 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol?
The InChIKey is SXWRMPKHRBJXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-8-4-2-1-3-6-12-7-5-11(9-12)10-14/h5,7,9,13-14H,1-4,6,8,10H2.
What are the key properties of 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol?
6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol is sourced from PubChem (CID 107705762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).