ethanol;2-pyrrolidin-3-ylethanol

C8H19NO2 — CID 143016324

IUPACethanol;2-pyrrolidin-3-ylethanol
SMILESCCO.OCCC1CCNC1
InChIInChI=1S/C6H13NO.C2H6O/c8-4-2-6-1-3-7-5-6;1-2-3/h6-8H,1-5H2;3H,2H2,1H3
InChIKeyFGVALIDOSLRZMG-UHFFFAOYSA-N
MW161.25 g/mol
LogP-0.02
Rot. Bonds2

About ethanol;2-pyrrolidin-3-ylethanol

ethanol;2-pyrrolidin-3-ylethanol (PubChem CID 143016324) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethanol;2-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Nameethanol;2-pyrrolidin-3-ylethanol
PubChem CID143016324
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethanol;2-pyrrolidin-3-ylethanol
SMILESCCO.OCCC1CCNC1
InChIInChI=1S/C6H13NO.C2H6O/c8-4-2-6-1-3-7-5-6;1-2-3/h6-8H,1-5H2;3H,2H2,1H3
InChIKeyFGVALIDOSLRZMG-UHFFFAOYSA-N
XLogP-0.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyrrolidin-3-yl)ethan-1-ol
CID 12612441
2-(3-Methylpyrrolidin-3-yl)ethan-1-ol
CID 22096332
2-(Pyrrolidin-3-yl)ethanol hydrochloride
CID 23079943
2,2-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
CID 60006963
2-[(3S)-pyrrolidin-3-yl]ethan-1-ol hydrochloride
CID 71646442
3-[(3R)-pyrrolidin-3-yl]propan-1-ol hydrochloride
CID 170914857
[3-(2-Methoxyethyl)pyrrolidin-3-yl]methanol
CID 66059642
2-[(3R)-pyrrolidin-3-yl]ethan-1-ol hydrochloride
CID 71646443
rac-[(3R,4R)-4-propylpyrrolidin-3-yl]methanol
CID 131045249
2-(4-Fluoropyrrolidin-3-yl)ethanol
CID 67769752
2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
CID 91602738
2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol
CID 156538387

Frequently Asked Questions

What is the IUPAC name of ethanol;2-pyrrolidin-3-ylethanol?
The IUPAC name of ethanol;2-pyrrolidin-3-ylethanol (CID 143016324) is ethanol;2-pyrrolidin-3-ylethanol.
What is the SMILES notation for ethanol;2-pyrrolidin-3-ylethanol?
The canonical SMILES for ethanol;2-pyrrolidin-3-ylethanol is CCO.OCCC1CCNC1.
What is the InChIKey of ethanol;2-pyrrolidin-3-ylethanol?
The InChIKey is FGVALIDOSLRZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6O/c8-4-2-6-1-3-7-5-6;1-2-3/h6-8H,1-5H2;3H,2H2,1H3.
What are the key properties of ethanol;2-pyrrolidin-3-ylethanol?
ethanol;2-pyrrolidin-3-ylethanol has a molecular weight of 161.25 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-pyrrolidin-3-ylethanol is sourced from PubChem (CID 143016324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).