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

C6H11NO — CID 23223031

IUPAC1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol
SMILESCC(O)C1=CCCN1
InChIInChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h3,5,7-8H,2,4H2,1H3
InChIKeyGFHSAPADVUSBLZ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.24
Rot. Bonds1

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

1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol (PubChem CID 23223031) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol
PubChem CID23223031
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol
SMILESCC(O)C1=CCCN1
InChIInChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h3,5,7-8H,2,4H2,1H3
InChIKeyGFHSAPADVUSBLZ-UHFFFAOYSA-N
XLogP0.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol (CID 23223031) is 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol is CC(O)C1=CCCN1.
What is the InChIKey of 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol?
The InChIKey is GFHSAPADVUSBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h3,5,7-8H,2,4H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol?
1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol has a molecular weight of 113.16 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol is sourced from PubChem (CID 23223031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).