2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol

C10H15NO — CID 130129702

IUPAC2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol
SMILESCc1ccc(C2CC2)n1CCO
InChIInChI=1S/C10H15NO/c1-8-2-5-10(9-3-4-9)11(8)6-7-12/h2,5,9,12H,3-4,6-7H2,1H3
InChIKeyWSJXRVVTSDYQMF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol

2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol (PubChem CID 130129702) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol
PubChem CID130129702
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol
SMILESCc1ccc(C2CC2)n1CCO
InChIInChI=1S/C10H15NO/c1-8-2-5-10(9-3-4-9)11(8)6-7-12/h2,5,9,12H,3-4,6-7H2,1H3
InChIKeyWSJXRVVTSDYQMF-UHFFFAOYSA-N
XLogP1.67
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol?
The IUPAC name of 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol (CID 130129702) is 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol.
What is the SMILES notation for 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol?
The canonical SMILES for 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol is Cc1ccc(C2CC2)n1CCO.
What is the InChIKey of 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol?
The InChIKey is WSJXRVVTSDYQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-2-5-10(9-3-4-9)11(8)6-7-12/h2,5,9,12H,3-4,6-7H2,1H3.
What are the key properties of 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol?
2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol has a molecular weight of 165.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-5-methylpyrrol-1-yl)ethanol is sourced from PubChem (CID 130129702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).