2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol

C6H11NO — CID 66605429

IUPAC2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol
SMILESOCCC1=CCCN1
InChIInChI=1S/C6H11NO/c8-5-3-6-2-1-4-7-6/h2,7-8H,1,3-5H2
InChIKeyMQUBKUWLZAGTES-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.25
Rot. Bonds2

About 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol

2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol (PubChem CID 66605429) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol
PubChem CID66605429
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol
SMILESOCCC1=CCCN1
InChIInChI=1S/C6H11NO/c8-5-3-6-2-1-4-7-6/h2,7-8H,1,3-5H2
InChIKeyMQUBKUWLZAGTES-UHFFFAOYSA-N
XLogP0.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol?
The IUPAC name of 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol (CID 66605429) is 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol is OCCC1=CCCN1.
What is the InChIKey of 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol?
The InChIKey is MQUBKUWLZAGTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-5-3-6-2-1-4-7-6/h2,7-8H,1,3-5H2.
What are the key properties of 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol?
2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol has a molecular weight of 113.16 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-pyrrol-5-yl)ethanol is sourced from PubChem (CID 66605429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).