2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one

C12H21NO2 — CID 79541210

IUPAC2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC1CC(C)=O
InChIInChI=1S/C12H21NO2/c1-4-9(2)12(15)13-7-5-6-11(13)8-10(3)14/h9,11H,4-8H2,1-3H3
InChIKeyFHFVLBACLDFUMG-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one

2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 79541210) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
PubChem CID79541210
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC1CC(C)=O
InChIInChI=1S/C12H21NO2/c1-4-9(2)12(15)13-7-5-6-11(13)8-10(3)14/h9,11H,4-8H2,1-3H3
InChIKeyFHFVLBACLDFUMG-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
CID 79549033
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
(2S,3S)-2-methyl-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 122115222
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
1-[2-(2-oxopropyl)pyrrolidin-1-yl]hexan-1-one
CID 79540345
2,2-dimethyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79540481
3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62839819
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid
CID 129468360
4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 80543143

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one (CID 79541210) is 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one is CCC(C)C(=O)N1CCCC1CC(C)=O.
What is the InChIKey of 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is FHFVLBACLDFUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-9(2)12(15)13-7-5-6-11(13)8-10(3)14/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one?
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 211.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 79541210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).