ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one

C11H21NO2 — CID 168988048

IUPACethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
SMILESCC.CC(=O)CCN1CC(C)CC1=O
InChIInChI=1S/C9H15NO2.C2H6/c1-7-5-9(12)10(6-7)4-3-8(2)11;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyYCSJAFNNRUXUHH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.86
Rot. Bonds3

About ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one

ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one (PubChem CID 168988048) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
PubChem CID168988048
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
SMILESCC.CC(=O)CCN1CC(C)CC1=O
InChIInChI=1S/C9H15NO2.C2H6/c1-7-5-9(12)10(6-7)4-3-8(2)11;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyYCSJAFNNRUXUHH-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
1-(4-bromobutyl)-4-methylpyrrolidin-2-one
CID 63103884
4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
CID 63102108
1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one
CID 63101369
4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one
CID 105344613
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one
CID 63102458
4-methyl-1-(3-oxobutyl)imidazolidin-2-one
CID 116980530
5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 126971671
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one?
The IUPAC name of ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one (CID 168988048) is ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one.
What is the SMILES notation for ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one?
The canonical SMILES for ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one is CC.CC(=O)CCN1CC(C)CC1=O.
What is the InChIKey of ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one?
The InChIKey is YCSJAFNNRUXUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C2H6/c1-7-5-9(12)10(6-7)4-3-8(2)11;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one?
ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one is sourced from PubChem (CID 168988048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).