(2,5-dimethylpyrrol-1-yl)methanol

C7H11NO — CID 15749502

IUPAC(2,5-dimethylpyrrol-1-yl)methanol
SMILESCc1ccc(C)n1CO
InChIInChI=1S/C7H11NO/c1-6-3-4-7(2)8(6)5-9/h3-4,9H,5H2,1-2H3
InChIKeyVATOEEOLJAVXDH-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.05
Rot. Bonds1

About (2,5-dimethylpyrrol-1-yl)methanol

(2,5-dimethylpyrrol-1-yl)methanol (PubChem CID 15749502) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2,5-dimethylpyrrol-1-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylpyrrol-1-yl)methanol
PubChem CID15749502
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2,5-dimethylpyrrol-1-yl)methanol
SMILESCc1ccc(C)n1CO
InChIInChI=1S/C7H11NO/c1-6-3-4-7(2)8(6)5-9/h3-4,9H,5H2,1-2H3
InChIKeyVATOEEOLJAVXDH-UHFFFAOYSA-N
XLogP1.05
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrrol-1-yl)methanol?
The IUPAC name of (2,5-dimethylpyrrol-1-yl)methanol (CID 15749502) is (2,5-dimethylpyrrol-1-yl)methanol.
What is the SMILES notation for (2,5-dimethylpyrrol-1-yl)methanol?
The canonical SMILES for (2,5-dimethylpyrrol-1-yl)methanol is Cc1ccc(C)n1CO.
What is the InChIKey of (2,5-dimethylpyrrol-1-yl)methanol?
The InChIKey is VATOEEOLJAVXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-4-7(2)8(6)5-9/h3-4,9H,5H2,1-2H3.
What are the key properties of (2,5-dimethylpyrrol-1-yl)methanol?
(2,5-dimethylpyrrol-1-yl)methanol has a molecular weight of 125.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrrol-1-yl)methanol is sourced from PubChem (CID 15749502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).