2-(3-ethylpyrrol-1-yl)ethanol

C8H13NO — CID 134841198

IUPAC2-(3-ethylpyrrol-1-yl)ethanol
SMILESCCc1ccn(CCO)c1
InChIInChI=1S/C8H13NO/c1-2-8-3-4-9(7-8)5-6-10/h3-4,7,10H,2,5-6H2,1H3
InChIKeyZGFHPMNJIIRUAJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.04
Rot. Bonds3

About 2-(3-ethylpyrrol-1-yl)ethanol

2-(3-ethylpyrrol-1-yl)ethanol (PubChem CID 134841198) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(3-ethylpyrrol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethylpyrrol-1-yl)ethanol
PubChem CID134841198
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(3-ethylpyrrol-1-yl)ethanol
SMILESCCc1ccn(CCO)c1
InChIInChI=1S/C8H13NO/c1-2-8-3-4-9(7-8)5-6-10/h3-4,7,10H,2,5-6H2,1H3
InChIKeyZGFHPMNJIIRUAJ-UHFFFAOYSA-N
XLogP1.04
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Hydroxyethyl)pyrrole
CID 10975438
2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethanol bromide
CID 136180680
2-(2-Methylpyrrol-1-yl)ethanol
CID 3394837
3-Tert-butyl-1-methylpyrrole
CID 578989
1-Butyl-3-isopropyl-1H-pyrrole
CID 13270985
3-(2-Resp-3-methyl-1-pyrrolyl)propanol
CID 70163108
1,3-Bis(2-propynyl)pyrrole
CID 12008705
1H-Pyrrole, 3-ethyl-1-(2-methyl-2-propenyl)-
CID 15529813
2-(3-Methylpyridin-1-ium-1-yl)ethanol
CID 5142487
1-(2-Hydroxyethyl)-2-propyl-3-ethylpyrrole
CID 13270984
3-Ethyl-1-vinyl-1h-pyrrole
CID 15688596
1-(2-Hydroxyethyl)-3-isopropylpyrrole
CID 22947752

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrol-1-yl)ethanol?
The IUPAC name of 2-(3-ethylpyrrol-1-yl)ethanol (CID 134841198) is 2-(3-ethylpyrrol-1-yl)ethanol.
What is the SMILES notation for 2-(3-ethylpyrrol-1-yl)ethanol?
The canonical SMILES for 2-(3-ethylpyrrol-1-yl)ethanol is CCc1ccn(CCO)c1.
What is the InChIKey of 2-(3-ethylpyrrol-1-yl)ethanol?
The InChIKey is ZGFHPMNJIIRUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-8-3-4-9(7-8)5-6-10/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of 2-(3-ethylpyrrol-1-yl)ethanol?
2-(3-ethylpyrrol-1-yl)ethanol has a molecular weight of 139.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrol-1-yl)ethanol is sourced from PubChem (CID 134841198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).