ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one

C11H23NO2 — CID 178176743

IUPACethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCC.CC(C)C(=O)C1C(O)CCN1C
InChIInChI=1S/C9H17NO2.C2H6/c1-6(2)9(12)8-7(11)4-5-10(8)3;1-2/h6-8,11H,4-5H2,1-3H3;1-2H3
InChIKeyTVVUDXWOTKFAGY-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.30
Rot. Bonds2

About ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one

ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one (PubChem CID 178176743) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Nameethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one
PubChem CID178176743
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCC.CC(C)C(=O)C1C(O)CCN1C
InChIInChI=1S/C9H17NO2.C2H6/c1-6(2)9(12)8-7(11)4-5-10(8)3;1-2/h6-8,11H,4-5H2,1-3H3;1-2H3
InChIKeyTVVUDXWOTKFAGY-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-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

Related Compounds

1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 176761287
ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
CID 177009838
(2S)-1-(2-carboxypropanoyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 22799644
1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid
CID 89128848
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 118217486
(2S,3S,4S)-1-methylpiperidine-2,3,4-triol
CID 70216582
1-[(2S,3S)-3-methoxy-1-propan-2-ylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 171576108
tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 129463332
2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 115012177
1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid
CID 71398204
2-methoxy-1-methylpyrrolidin-3-ol
CID 139998921

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one?
The IUPAC name of ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one (CID 178176743) is ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one?
The canonical SMILES for ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one is CC.CC(C)C(=O)C1C(O)CCN1C.
What is the InChIKey of ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one?
The InChIKey is TVVUDXWOTKFAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-6(2)9(12)8-7(11)4-5-10(8)3;1-2/h6-8,11H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one?
ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one has a molecular weight of 201.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 178176743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).