ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone

C10H21NO2 — CID 142147232

IUPACethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
SMILESCC.CC(=O)C1CCCN1C(C)O
InChIInChI=1S/C8H15NO2.C2H6/c1-6(10)8-4-3-5-9(8)7(2)11;1-2/h7-8,11H,3-5H2,1-2H3;1-2H3
InChIKeyVGXLBENADLTWRW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.40
Rot. Bonds2

About ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone

ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone (PubChem CID 142147232) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
PubChem CID142147232
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
SMILESCC.CC(=O)C1CCCN1C(C)O
InChIInChI=1S/C8H15NO2.C2H6/c1-6(10)8-4-3-5-9(8)7(2)11;1-2/h7-8,11H,3-5H2,1-2H3;1-2H3
InChIKeyVGXLBENADLTWRW-UHFFFAOYSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 59945902
2-(2-acetylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 63846538
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 157097764
2-(2-acetylpiperidin-1-yl)-N-butan-2-ylpropanamide
CID 63844811
(2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide
CID 143351799
1-(dihydroxymethyl)pyrrolidine-2-carboxylic acid
CID 22996998
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone (CID 142147232) is ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone is CC.CC(=O)C1CCCN1C(C)O.
What is the InChIKey of ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone?
The InChIKey is VGXLBENADLTWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-6(10)8-4-3-5-9(8)7(2)11;1-2/h7-8,11H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone?
ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone has a molecular weight of 187.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 142147232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).