2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one

C11H19NO2 — CID 103727494

IUPAC2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(C)(O)C1)C1CC1
InChIInChI=1S/C11H19NO2/c1-8(9-3-4-9)10(13)12-6-5-11(2,14)7-12/h8-9,14H,3-7H2,1-2H3
InChIKeyGTNMRKNZPZKPNK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds2

About 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one

2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 103727494) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID103727494
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(C)(O)C1)C1CC1
InChIInChI=1S/C11H19NO2/c1-8(9-3-4-9)10(13)12-6-5-11(2,14)7-12/h8-9,14H,3-7H2,1-2H3
InChIKeyGTNMRKNZPZKPNK-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103881681
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
2-bromo-1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 103355715
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
CID 103356010
2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 116677760
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
1-[4-(1-bromoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one
CID 106839353
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103726885
(2R)-2-amino-2-cyclopropyl-1-(3,3-dimethylpyrrolidin-1-yl)ethanone;ethane
CID 144942279
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 103726829
(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 104919981

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (CID 103727494) is 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is CC(C(=O)N1CCC(C)(O)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is GTNMRKNZPZKPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(9-3-4-9)10(13)12-6-5-11(2,14)7-12/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 103727494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).