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

C8H17NO2 — CID 142317689

IUPAC(2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol
SMILESCN1CCCC1C[C@@H](O)CO
InChIInChI=1S/C8H17NO2/c1-9-4-2-3-7(9)5-8(11)6-10/h7-8,10-11H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyBFKUCJHPLBEWNQ-BRFYHDHCSA-N
MW159.23 g/mol
LogP-0.18
Rot. Bonds3

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

(2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol (PubChem CID 142317689) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol
PubChem CID142317689
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol
SMILESCN1CCCC1C[C@@H](O)CO
InChIInChI=1S/C8H17NO2/c1-9-4-2-3-7(9)5-8(11)6-10/h7-8,10-11H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyBFKUCJHPLBEWNQ-BRFYHDHCSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one
CID 58143490
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
1-methyl-2-(2-methylhexyl)pyrrolidine
CID 155425849

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol?
The IUPAC name of (2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol (CID 142317689) is (2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol?
The canonical SMILES for (2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol is CN1CCCC1C[C@@H](O)CO.
What is the InChIKey of (2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol?
The InChIKey is BFKUCJHPLBEWNQ-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9-4-2-3-7(9)5-8(11)6-10/h7-8,10-11H,2-6H2,1H3/t7?,8-/m1/s1.
What are the key properties of (2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol?
(2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol has a molecular weight of 159.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol is sourced from PubChem (CID 142317689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).