1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone

C11H22N2O — CID 59910988

IUPAC1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone
SMILESCC[C@@H]1C[C@H](C(C)=O)N(C)C1C(C)N
InChIInChI=1S/C11H22N2O/c1-5-9-6-10(8(3)14)13(4)11(9)7(2)12/h7,9-11H,5-6,12H2,1-4H3/t7?,9-,10-,11?/m1/s1
InChIKeyINWLWBBASYFSKW-JWKLSDCMSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds3

About 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone

1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 59910988) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone
PubChem CID59910988
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone
SMILESCC[C@@H]1C[C@H](C(C)=O)N(C)C1C(C)N
InChIInChI=1S/C11H22N2O/c1-5-9-6-10(8(3)14)13(4)11(9)7(2)12/h7,9-11H,5-6,12H2,1-4H3/t7?,9-,10-,11?/m1/s1
InChIKeyINWLWBBASYFSKW-JWKLSDCMSA-N
XLogP1.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone (CID 59910988) is 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone is CC[C@@H]1C[C@H](C(C)=O)N(C)C1C(C)N.
What is the InChIKey of 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is INWLWBBASYFSKW-JWKLSDCMSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-9-6-10(8(3)14)13(4)11(9)7(2)12/h7,9-11H,5-6,12H2,1-4H3/t7?,9-,10-,11?/m1/s1.
What are the key properties of 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone?
1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 198.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59910988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).