1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone

C10H19NO — CID 170366316

IUPAC1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@]1(C)CCCN1C(C)C
InChIInChI=1S/C10H19NO/c1-8(2)11-7-5-6-10(11,4)9(3)12/h8H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyXFFFUJXGFXKBOA-SNVBAGLBSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds2

About 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone

1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone (PubChem CID 170366316) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone
PubChem CID170366316
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@]1(C)CCCN1C(C)C
InChIInChI=1S/C10H19NO/c1-8(2)11-7-5-6-10(11,4)9(3)12/h8H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyXFFFUJXGFXKBOA-SNVBAGLBSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone (CID 170366316) is 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone is CC(=O)[C@@]1(C)CCCN1C(C)C.
What is the InChIKey of 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The InChIKey is XFFFUJXGFXKBOA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)11-7-5-6-10(11,4)9(3)12/h8H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone?
1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone has a molecular weight of 169.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 170366316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).