1-(1-ethylpyrrol-3-yl)ethanol

C8H13NO — CID 79107280

IUPAC1-(1-ethylpyrrol-3-yl)ethanol
SMILESCCn1ccc(C(C)O)c1
InChIInChI=1S/C8H13NO/c1-3-9-5-4-8(6-9)7(2)10/h4-7,10H,3H2,1-2H3
InChIKeyDPITZJSMASAQCM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.56
Rot. Bonds2

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

1-(1-ethylpyrrol-3-yl)ethanol (PubChem CID 79107280) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1-ethylpyrrol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-ethylpyrrol-3-yl)ethanol
PubChem CID79107280
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(1-ethylpyrrol-3-yl)ethanol
SMILESCCn1ccc(C(C)O)c1
InChIInChI=1S/C8H13NO/c1-3-9-5-4-8(6-9)7(2)10/h4-7,10H,3H2,1-2H3
InChIKeyDPITZJSMASAQCM-UHFFFAOYSA-N
XLogP1.56
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrol-3-yl)ethanol?
The IUPAC name of 1-(1-ethylpyrrol-3-yl)ethanol (CID 79107280) is 1-(1-ethylpyrrol-3-yl)ethanol.
What is the SMILES notation for 1-(1-ethylpyrrol-3-yl)ethanol?
The canonical SMILES for 1-(1-ethylpyrrol-3-yl)ethanol is CCn1ccc(C(C)O)c1.
What is the InChIKey of 1-(1-ethylpyrrol-3-yl)ethanol?
The InChIKey is DPITZJSMASAQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-9-5-4-8(6-9)7(2)10/h4-7,10H,3H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrol-3-yl)ethanol?
1-(1-ethylpyrrol-3-yl)ethanol has a molecular weight of 139.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrol-3-yl)ethanol is sourced from PubChem (CID 79107280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).