[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C11H20N2O2 — CID 68578006

IUPAC[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN1CCO)N1CCCC1
InChIInChI=1S/C11H20N2O2/c14-9-8-12-7-3-4-10(12)11(15)13-5-1-2-6-13/h10,14H,1-9H2/t10-/m0/s1
InChIKeyZNRBRFFZXFXXQV-JTQLQIEISA-N
MW212.29 g/mol
LogP0.07
Rot. Bonds3

About [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 68578006) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID68578006
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN1CCO)N1CCCC1
InChIInChI=1S/C11H20N2O2/c14-9-8-12-7-3-4-10(12)11(15)13-5-1-2-6-13/h10,14H,1-9H2/t10-/m0/s1
InChIKeyZNRBRFFZXFXXQV-JTQLQIEISA-N
XLogP0.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 68578006) is [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1CCCN1CCO)N1CCCC1.
What is the InChIKey of [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZNRBRFFZXFXXQV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2/c14-9-8-12-7-3-4-10(12)11(15)13-5-1-2-6-13/h10,14H,1-9H2/t10-/m0/s1.
What are the key properties of [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 212.29 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 68578006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).