2-(3-ethyl-2-propylpyrrol-1-yl)ethanol

C11H19NO — CID 13270984

IUPAC2-(3-ethyl-2-propylpyrrol-1-yl)ethanol
SMILESCCCc1c(CC)ccn1CCO
InChIInChI=1S/C11H19NO/c1-3-5-11-10(4-2)6-7-12(11)8-9-13/h6-7,13H,3-5,8-9H2,1-2H3
InChIKeyIGNIAPHEVDGQNX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.00
Rot. Bonds5

About 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol

2-(3-ethyl-2-propylpyrrol-1-yl)ethanol (PubChem CID 13270984) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-2-propylpyrrol-1-yl)ethanol
PubChem CID13270984
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(3-ethyl-2-propylpyrrol-1-yl)ethanol
SMILESCCCc1c(CC)ccn1CCO
InChIInChI=1S/C11H19NO/c1-3-5-11-10(4-2)6-7-12(11)8-9-13/h6-7,13H,3-5,8-9H2,1-2H3
InChIKeyIGNIAPHEVDGQNX-UHFFFAOYSA-N
XLogP2.00
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol?
The IUPAC name of 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol (CID 13270984) is 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol.
What is the SMILES notation for 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol?
The canonical SMILES for 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol is CCCc1c(CC)ccn1CCO.
What is the InChIKey of 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol?
The InChIKey is IGNIAPHEVDGQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-11-10(4-2)6-7-12(11)8-9-13/h6-7,13H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol?
2-(3-ethyl-2-propylpyrrol-1-yl)ethanol has a molecular weight of 181.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-propylpyrrol-1-yl)ethanol is sourced from PubChem (CID 13270984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).