1-(1-methylpyrrol-3-yl)ethanol

C7H11NO — CID 12519680

IUPAC1-(1-methylpyrrol-3-yl)ethanol
SMILESCC(O)c1ccn(C)c1
InChIInChI=1S/C7H11NO/c1-6(9)7-3-4-8(2)5-7/h3-6,9H,1-2H3
InChIKeyNZWKLXUOPKXDCD-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.08
Rot. Bonds1

About 1-(1-methylpyrrol-3-yl)ethanol

1-(1-methylpyrrol-3-yl)ethanol (PubChem CID 12519680) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)ethanol
PubChem CID12519680
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(1-methylpyrrol-3-yl)ethanol
SMILESCC(O)c1ccn(C)c1
InChIInChI=1S/C7H11NO/c1-6(9)7-3-4-8(2)5-7/h3-6,9H,1-2H3
InChIKeyNZWKLXUOPKXDCD-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)ethanol?
The IUPAC name of 1-(1-methylpyrrol-3-yl)ethanol (CID 12519680) is 1-(1-methylpyrrol-3-yl)ethanol.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)ethanol?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)ethanol is CC(O)c1ccn(C)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)ethanol?
The InChIKey is NZWKLXUOPKXDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(9)7-3-4-8(2)5-7/h3-6,9H,1-2H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)ethanol?
1-(1-methylpyrrol-3-yl)ethanol has a molecular weight of 125.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)ethanol is sourced from PubChem (CID 12519680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).