1-pyrrolidin-2-ylethanol

C6H13NO — CID 10129930

IUPAC1-pyrrolidin-2-ylethanol
SMILESCC(O)C1CCCN1
InChIInChI=1S/C6H13NO/c1-5(8)6-3-2-4-7-6/h5-8H,2-4H2,1H3
InChIKeyIEBYUZARWOFDSE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.12
Rot. Bonds1

About 1-pyrrolidin-2-ylethanol

1-pyrrolidin-2-ylethanol (PubChem CID 10129930) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-pyrrolidin-2-ylethanol
PubChem CID10129930
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-pyrrolidin-2-ylethanol
SMILESCC(O)C1CCCN1
InChIInChI=1S/C6H13NO/c1-5(8)6-3-2-4-7-6/h5-8H,2-4H2,1H3
InChIKeyIEBYUZARWOFDSE-UHFFFAOYSA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
CID 446222
1,4-Dideoxy-1,4-imino-d-arabinitol
CID 451991
(2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 127716
(2S,3S,4S,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 12085983
2,5-Dideoxy-2,5-Imino-D-Fucitol
CID 21129912
L-Prolinol
CID 640091
Prolinol, (R)-
CID 2724541
2-(Hydroxymethyl)pyrrolidine-3,4-diol
CID 1335
Dideoxy-Imino-Lyxitol
CID 9882222
(2r,3s,4r,5s)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21635671
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 10057640
Prolinol
CID 90908

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylethanol?
The IUPAC name of 1-pyrrolidin-2-ylethanol (CID 10129930) is 1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-pyrrolidin-2-ylethanol is CC(O)C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylethanol?
The InChIKey is IEBYUZARWOFDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(8)6-3-2-4-7-6/h5-8H,2-4H2,1H3.
What are the key properties of 1-pyrrolidin-2-ylethanol?
1-pyrrolidin-2-ylethanol has a molecular weight of 115.18 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 10129930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).