ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one

C10H21NO — CID 167482044

IUPACethane;3-ethyl-5,5-dimethylpyrrolidin-2-one
SMILESCC.CCC1CC(C)(C)NC1=O
InChIInChI=1S/C8H15NO.C2H6/c1-4-6-5-8(2,3)9-7(6)10;1-2/h6H,4-5H2,1-3H3,(H,9,10);1-2H3
InChIKeyLTIVOZWETOHUPP-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds1

About ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one

ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one (PubChem CID 167482044) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-5,5-dimethylpyrrolidin-2-one
PubChem CID167482044
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;3-ethyl-5,5-dimethylpyrrolidin-2-one
SMILESCC.CCC1CC(C)(C)NC1=O
InChIInChI=1S/C8H15NO.C2H6/c1-4-6-5-8(2,3)9-7(6)10;1-2/h6H,4-5H2,1-3H3,(H,9,10);1-2H3
InChIKeyLTIVOZWETOHUPP-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
CID 167481225
ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
CID 156638793
3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one
CID 139389161
tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
CID 163782535
(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide
CID 162695443
3-[2-(7,7-dimethyl-1-oxo-1,4-thiazepan-4-yl)ethyl]-5,5-dimethylpyrrolidin-2-one
CID 166265324
tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate
CID 167481864
[(2S)-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid
CID 175890922
methyl (2S)-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162479345
tert-butyl N-[(2S)-3-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 162695953
ethane;6-ethyl-1,4-diazepan-5-one
CID 167517882
3-ethyl-7,7,9,9-tetramethyl-1,8-diazaspiro[4.5]decan-4-one
CID 139708487

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one (CID 167482044) is ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one is CC.CCC1CC(C)(C)NC1=O.
What is the InChIKey of ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one?
The InChIKey is LTIVOZWETOHUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-4-6-5-8(2,3)9-7(6)10;1-2/h6H,4-5H2,1-3H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one?
ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 167482044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).