1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone

C11H20N2O2 — CID 170218602

IUPAC1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone
SMILESCNC1CCN(C(=O)C[C@@H]2CCOC2)C1
InChIInChI=1S/C11H20N2O2/c1-12-10-2-4-13(7-10)11(14)6-9-3-5-15-8-9/h9-10,12H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyCPFDHZHZXUCKMM-RGURZIINSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds3

About 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone

1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone (PubChem CID 170218602) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone
PubChem CID170218602
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone
SMILESCNC1CCN(C(=O)C[C@@H]2CCOC2)C1
InChIInChI=1S/C11H20N2O2/c1-12-10-2-4-13(7-10)11(14)6-9-3-5-15-8-9/h9-10,12H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyCPFDHZHZXUCKMM-RGURZIINSA-N
XLogP0.23
TPSA41.57 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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone?
The IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone (CID 170218602) is 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone.
What is the SMILES notation for 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone?
The canonical SMILES for 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone is CNC1CCN(C(=O)C[C@@H]2CCOC2)C1.
What is the InChIKey of 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone?
The InChIKey is CPFDHZHZXUCKMM-RGURZIINSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-10-2-4-13(7-10)11(14)6-9-3-5-15-8-9/h9-10,12H,2-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone?
1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone is sourced from PubChem (CID 170218602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).