2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone

C13H23NO2 — CID 118444492

IUPAC2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone
SMILESCC(C)[C@]1(C)CCN(C(=O)C(O)C2CC2)C1
InChIInChI=1S/C13H23NO2/c1-9(2)13(3)6-7-14(8-13)12(16)11(15)10-4-5-10/h9-11,15H,4-8H2,1-3H3/t11?,13-/m1/s1
InChIKeyKRRDAILLSKQBHY-GLGOKHISSA-N
MW225.33 g/mol
LogP1.65
Rot. Bonds3

About 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone

2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 118444492) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone
PubChem CID118444492
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone
SMILESCC(C)[C@]1(C)CCN(C(=O)C(O)C2CC2)C1
InChIInChI=1S/C13H23NO2/c1-9(2)13(3)6-7-14(8-13)12(16)11(15)10-4-5-10/h9-11,15H,4-8H2,1-3H3/t11?,13-/m1/s1
InChIKeyKRRDAILLSKQBHY-GLGOKHISSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone (CID 118444492) is 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone is CC(C)[C@]1(C)CCN(C(=O)C(O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is KRRDAILLSKQBHY-GLGOKHISSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)13(3)6-7-14(8-13)12(16)11(15)10-4-5-10/h9-11,15H,4-8H2,1-3H3/t11?,13-/m1/s1.
What are the key properties of 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone?
2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 225.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118444492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).