3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol

C9H15NO2 — CID 55266093

IUPAC3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol
SMILESCn1cc(CCCO)cc1CO
InChIInChI=1S/C9H15NO2/c1-10-6-8(3-2-4-11)5-9(10)7-12/h5-6,11-12H,2-4,7H2,1H3
InChIKeyIIFAGRRPWQAINN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.44
Rot. Bonds4

About 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol

3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol (PubChem CID 55266093) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol
PubChem CID55266093
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol
SMILESCn1cc(CCCO)cc1CO
InChIInChI=1S/C9H15NO2/c1-10-6-8(3-2-4-11)5-9(10)7-12/h5-6,11-12H,2-4,7H2,1H3
InChIKeyIIFAGRRPWQAINN-UHFFFAOYSA-N
XLogP0.44
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol?
The IUPAC name of 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol (CID 55266093) is 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol is Cn1cc(CCCO)cc1CO.
What is the InChIKey of 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol?
The InChIKey is IIFAGRRPWQAINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-6-8(3-2-4-11)5-9(10)7-12/h5-6,11-12H,2-4,7H2,1H3.
What are the key properties of 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol?
3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 55266093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).