[(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol

C8H16N2O — CID 89018804

IUPAC[(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol
SMILESCC/C=N/N1CCC[C@@H]1CO
InChIInChI=1S/C8H16N2O/c1-2-5-9-10-6-3-4-8(10)7-11/h5,8,11H,2-4,6-7H2,1H3/b9-5+/t8-/m1/s1
InChIKeyGEEOZNXTAGKNNE-CBVZUMJXSA-N
MW156.23 g/mol
LogP0.84
Rot. Bonds3

About [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol

[(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol (PubChem CID 89018804) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol
PubChem CID89018804
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name[(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol
SMILESCC/C=N/N1CCC[C@@H]1CO
InChIInChI=1S/C8H16N2O/c1-2-5-9-10-6-3-4-8(10)7-11/h5,8,11H,2-4,6-7H2,1H3/b9-5+/t8-/m1/s1
InChIKeyGEEOZNXTAGKNNE-CBVZUMJXSA-N
XLogP0.84
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
(2R)-2-ethyl-1-nitrosopyrrolidine
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(1-methylpyrrolidin-2-yl)methanol;yttrium
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[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
[(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol
CID 11064155
(1-but-2-enylpyrrolidin-2-yl)methanol
CID 76932279
(1-ethylazepan-2-yl)methanol
CID 2849413
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-triethylsilylethanimine
CID 23241582
[(2S)-1-chloropyrrolidin-2-yl]methanol
CID 89280980
ethyl-[2-(hydroxymethyl)pyrrolidin-1-yl]tin
CID 174710260
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115645119
[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol
CID 169020554

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol (CID 89018804) is [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol is CC/C=N/N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol?
The InChIKey is GEEOZNXTAGKNNE-CBVZUMJXSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-5-9-10-6-3-4-8(10)7-11/h5,8,11H,2-4,6-7H2,1H3/b9-5+/t8-/m1/s1.
What are the key properties of [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol?
[(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol has a molecular weight of 156.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 89018804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).