3-(3-methylpyrrolidin-1-yl)propane-1,2-diol

C8H17NO2 — CID 23396961

IUPAC3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
SMILESCC1CCN(CC(O)CO)C1
InChIInChI=1S/C8H17NO2/c1-7-2-3-9(4-7)5-8(11)6-10/h7-8,10-11H,2-6H2,1H3
InChIKeyNEXLUSYEEUHEHJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.32
Rot. Bonds3

About 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol

3-(3-methylpyrrolidin-1-yl)propane-1,2-diol (PubChem CID 23396961) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
PubChem CID23396961
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
SMILESCC1CCN(CC(O)CO)C1
InChIInChI=1S/C8H17NO2/c1-7-2-3-9(4-7)5-8(11)6-10/h7-8,10-11H,2-6H2,1H3
InChIKeyNEXLUSYEEUHEHJ-UHFFFAOYSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylazetidin-1-yl)propane-1,2-diol
CID 104550367
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
1-carbazol-9-yl-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 86879291
3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
CID 114511014
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
CID 57486049

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol (CID 23396961) is 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol is CC1CCN(CC(O)CO)C1.
What is the InChIKey of 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol?
The InChIKey is NEXLUSYEEUHEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7-2-3-9(4-7)5-8(11)6-10/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol?
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol has a molecular weight of 159.23 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrrolidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 23396961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).