3-methyl-1-(2-oxobutyl)pyrrolidin-2-one

C9H15NO2 — CID 130986072

IUPAC3-methyl-1-(2-oxobutyl)pyrrolidin-2-one
SMILESCCC(=O)CN1CCC(C)C1=O
InChIInChI=1S/C9H15NO2/c1-3-8(11)6-10-5-4-7(2)9(10)12/h7H,3-6H2,1-2H3
InChIKeyNZHCHISROUNEKS-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds3

About 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one

3-methyl-1-(2-oxobutyl)pyrrolidin-2-one (PubChem CID 130986072) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-oxobutyl)pyrrolidin-2-one
PubChem CID130986072
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-methyl-1-(2-oxobutyl)pyrrolidin-2-one
SMILESCCC(=O)CN1CCC(C)C1=O
InChIInChI=1S/C9H15NO2/c1-3-8(11)6-10-5-4-7(2)9(10)12/h7H,3-6H2,1-2H3
InChIKeyNZHCHISROUNEKS-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one
CID 131197806
ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
CID 104679887
2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde
CID 58689344
1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
CID 104751665
3-methyl-1-prop-2-ynylpyrrolidin-2-one
CID 130957901
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 72845145
1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-2-one
CID 130885927
1-decanoyl-3-methylpyrrolidin-2-one
CID 19035137
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
CID 103073008
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid
CID 175290207

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one (CID 130986072) is 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one is CCC(=O)CN1CCC(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one?
The InChIKey is NZHCHISROUNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-8(11)6-10-5-4-7(2)9(10)12/h7H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one?
3-methyl-1-(2-oxobutyl)pyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxobutyl)pyrrolidin-2-one is sourced from PubChem (CID 130986072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).