2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol

C12H24N2O — CID 10488753

IUPAC2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCN1CCC[C@H]1CN1CCC[C@H]1CCO
InChIInChI=1S/C12H24N2O/c1-13-7-2-5-12(13)10-14-8-3-4-11(14)6-9-15/h11-12,15H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyIEOPWJKXIQLTTB-RYUDHWBXSA-N
MW212.34 g/mol
LogP0.93
Rot. Bonds4

About 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol

2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol (PubChem CID 10488753) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol
PubChem CID10488753
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCN1CCC[C@H]1CN1CCC[C@H]1CCO
InChIInChI=1S/C12H24N2O/c1-13-7-2-5-12(13)10-14-8-3-4-11(14)6-9-15/h11-12,15H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyIEOPWJKXIQLTTB-RYUDHWBXSA-N
XLogP0.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol (CID 10488753) is 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol is CN1CCC[C@H]1CN1CCC[C@H]1CCO.
What is the InChIKey of 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is IEOPWJKXIQLTTB-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-7-2-5-12(13)10-14-8-3-4-11(14)6-9-15/h11-12,15H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol?
2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 212.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 10488753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).