1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one

C10H19NO2 — CID 59440878

IUPAC1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC1(O)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-9(2,3)8(12)11-6-5-10(4,13)7-11/h13H,5-7H2,1-4H3
InChIKeyHMZLLYVGMDTLEL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds

About 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 59440878) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID59440878
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC1(O)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-9(2,3)8(12)11-6-5-10(4,13)7-11/h13H,5-7H2,1-4H3
InChIKeyHMZLLYVGMDTLEL-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one (CID 59440878) is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one is CC1(O)CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is HMZLLYVGMDTLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)8(12)11-6-5-10(4,13)7-11/h13H,5-7H2,1-4H3.
What are the key properties of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59440878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).