3-pyrrolidin-2-ylpropane-1,2-diol

C7H15NO2 — CID 67326252

IUPAC3-pyrrolidin-2-ylpropane-1,2-diol
SMILESOCC(O)CC1CCCN1
InChIInChI=1S/C7H15NO2/c9-5-7(10)4-6-2-1-3-8-6/h6-10H,1-5H2
InChIKeySUTRFBHAPBTRAB-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.52
Rot. Bonds3

About 3-pyrrolidin-2-ylpropane-1,2-diol

3-pyrrolidin-2-ylpropane-1,2-diol (PubChem CID 67326252) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-pyrrolidin-2-ylpropane-1,2-diol.

Molecular Properties

Compound Name3-pyrrolidin-2-ylpropane-1,2-diol
PubChem CID67326252
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-pyrrolidin-2-ylpropane-1,2-diol
SMILESOCC(O)CC1CCCN1
InChIInChI=1S/C7H15NO2/c9-5-7(10)4-6-2-1-3-8-6/h6-10H,1-5H2
InChIKeySUTRFBHAPBTRAB-UHFFFAOYSA-N
XLogP-0.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol
CID 131020224
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol
CID 79540718
1-amino-2-pyrrolidin-2-ylethanol
CID 155698617
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol
CID 106599810
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate
CID 86711776
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
1-piperidin-2-ylheptan-2-ol
CID 14021662
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-ylpropane-1,2-diol?
The IUPAC name of 3-pyrrolidin-2-ylpropane-1,2-diol (CID 67326252) is 3-pyrrolidin-2-ylpropane-1,2-diol.
What is the SMILES notation for 3-pyrrolidin-2-ylpropane-1,2-diol?
The canonical SMILES for 3-pyrrolidin-2-ylpropane-1,2-diol is OCC(O)CC1CCCN1.
What is the InChIKey of 3-pyrrolidin-2-ylpropane-1,2-diol?
The InChIKey is SUTRFBHAPBTRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c9-5-7(10)4-6-2-1-3-8-6/h6-10H,1-5H2.
What are the key properties of 3-pyrrolidin-2-ylpropane-1,2-diol?
3-pyrrolidin-2-ylpropane-1,2-diol has a molecular weight of 145.20 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-ylpropane-1,2-diol is sourced from PubChem (CID 67326252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).