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

C11H19NO2 — CID 79539984

IUPAC2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(=O)CC1CCCN1C(=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)11(14)12-6-4-5-10(12)7-9(3)13/h8,10H,4-7H2,1-3H3
InChIKeyWLVUEJIZZINAIA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds3

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

2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 79539984) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
PubChem CID79539984
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(=O)CC1CCCN1C(=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)11(14)12-6-4-5-10(12)7-9(3)13/h8,10H,4-7H2,1-3H3
InChIKeyWLVUEJIZZINAIA-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79541210
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
CID 79549033
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid
CID 129468360
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
1-[2-(2-aminooxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 82040224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one (CID 79539984) is 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one is CC(=O)CC1CCCN1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is WLVUEJIZZINAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)11(14)12-6-4-5-10(12)7-9(3)13/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.61, 3 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]propan-1-one is sourced from PubChem (CID 79539984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).