2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone

C14H25NO2 — CID 58584485

IUPAC2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C(O)C2(C(C)(C)C)CC2)C1
InChIInChI=1S/C14H25NO2/c1-10-5-8-15(9-10)12(17)11(16)14(6-7-14)13(2,3)4/h10-11,16H,5-9H2,1-4H3
InChIKeyPUMXVZGFINGLJZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.04
Rot. Bonds2

About 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone

2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone (PubChem CID 58584485) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone
PubChem CID58584485
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C(O)C2(C(C)(C)C)CC2)C1
InChIInChI=1S/C14H25NO2/c1-10-5-8-15(9-10)12(17)11(16)14(6-7-14)13(2,3)4/h10-11,16H,5-9H2,1-4H3
InChIKeyPUMXVZGFINGLJZ-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11183471
N-(2-hydroxyethyl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
CID 11206424
8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 136586321
(2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one
CID 22975015
1-(3-Hydroxypyrrolidin-1-yl)-3,3-dimethyl-2-propan-2-ylbutan-1-one
CID 58124523
2-(1-Tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 58584459
(2-Ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584483
2-Hydroxy-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-5,5-dimethylhexan-1-one
CID 59636920
[2-(Hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
CID 70331749
Rac-cyclopropyl(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone
CID 90158068
1-(2-Hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one
CID 107155488
(2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118334260

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone (CID 58584485) is 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone is CC1CCN(C(=O)C(O)C2(C(C)(C)C)CC2)C1.
What is the InChIKey of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is PUMXVZGFINGLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-5-8-15(9-10)12(17)11(16)14(6-7-14)13(2,3)4/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone?
2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 58584485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).