2-(1-propylpyrrol-2-yl)ethanol

C9H15NO — CID 23127731

IUPAC2-(1-propylpyrrol-2-yl)ethanol
SMILESCCCn1cccc1CCO
InChIInChI=1S/C9H15NO/c1-2-6-10-7-3-4-9(10)5-8-11/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyWEFGKMHSPCSFFG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.43
Rot. Bonds4

About 2-(1-propylpyrrol-2-yl)ethanol

2-(1-propylpyrrol-2-yl)ethanol (PubChem CID 23127731) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(1-propylpyrrol-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-propylpyrrol-2-yl)ethanol
PubChem CID23127731
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(1-propylpyrrol-2-yl)ethanol
SMILESCCCn1cccc1CCO
InChIInChI=1S/C9H15NO/c1-2-6-10-7-3-4-9(10)5-8-11/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyWEFGKMHSPCSFFG-UHFFFAOYSA-N
XLogP1.43
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrrol-2-yl)ethanol?
The IUPAC name of 2-(1-propylpyrrol-2-yl)ethanol (CID 23127731) is 2-(1-propylpyrrol-2-yl)ethanol.
What is the SMILES notation for 2-(1-propylpyrrol-2-yl)ethanol?
The canonical SMILES for 2-(1-propylpyrrol-2-yl)ethanol is CCCn1cccc1CCO.
What is the InChIKey of 2-(1-propylpyrrol-2-yl)ethanol?
The InChIKey is WEFGKMHSPCSFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-6-10-7-3-4-9(10)5-8-11/h3-4,7,11H,2,5-6,8H2,1H3.
What are the key properties of 2-(1-propylpyrrol-2-yl)ethanol?
2-(1-propylpyrrol-2-yl)ethanol has a molecular weight of 153.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrrol-2-yl)ethanol is sourced from PubChem (CID 23127731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).