1-(5-methyl-1H-pyrrol-3-yl)ethanol

C7H11NO — CID 164681069

IUPAC1-(5-methyl-1H-pyrrol-3-yl)ethanol
SMILESCc1cc(C(C)O)c[nH]1
InChIInChI=1S/C7H11NO/c1-5-3-7(4-8-5)6(2)9/h3-4,6,8-9H,1-2H3
InChIKeyICYGDGPDBUGKAK-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.38
Rot. Bonds1

About 1-(5-methyl-1H-pyrrol-3-yl)ethanol

1-(5-methyl-1H-pyrrol-3-yl)ethanol (PubChem CID 164681069) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrrol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrrol-3-yl)ethanol
PubChem CID164681069
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(5-methyl-1H-pyrrol-3-yl)ethanol
SMILESCc1cc(C(C)O)c[nH]1
InChIInChI=1S/C7H11NO/c1-5-3-7(4-8-5)6(2)9/h3-4,6,8-9H,1-2H3
InChIKeyICYGDGPDBUGKAK-UHFFFAOYSA-N
XLogP1.38
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrrol-3-yl)ethanol?
The IUPAC name of 1-(5-methyl-1H-pyrrol-3-yl)ethanol (CID 164681069) is 1-(5-methyl-1H-pyrrol-3-yl)ethanol.
What is the SMILES notation for 1-(5-methyl-1H-pyrrol-3-yl)ethanol?
The canonical SMILES for 1-(5-methyl-1H-pyrrol-3-yl)ethanol is Cc1cc(C(C)O)c[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrrol-3-yl)ethanol?
The InChIKey is ICYGDGPDBUGKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-7(4-8-5)6(2)9/h3-4,6,8-9H,1-2H3.
What are the key properties of 1-(5-methyl-1H-pyrrol-3-yl)ethanol?
1-(5-methyl-1H-pyrrol-3-yl)ethanol has a molecular weight of 125.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrrol-3-yl)ethanol is sourced from PubChem (CID 164681069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).