1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one

C11H19NO2 — CID 175665133

IUPAC1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one
SMILESCC(=O)CC1CCN(C)C1CC(C)=O
InChIInChI=1S/C11H19NO2/c1-8(13)6-10-4-5-12(3)11(10)7-9(2)14/h10-11H,4-7H2,1-3H3
InChIKeyXNDXNGIWCBIQJX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.26
Rot. Bonds4

About 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one

1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one (PubChem CID 175665133) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one
PubChem CID175665133
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one
SMILESCC(=O)CC1CCN(C)C1CC(C)=O
InChIInChI=1S/C11H19NO2/c1-8(13)6-10-4-5-12(3)11(10)7-9(2)14/h10-11H,4-7H2,1-3H3
InChIKeyXNDXNGIWCBIQJX-UHFFFAOYSA-N
XLogP1.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one?
The IUPAC name of 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one (CID 175665133) is 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one.
What is the SMILES notation for 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one?
The canonical SMILES for 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one is CC(=O)CC1CCN(C)C1CC(C)=O.
What is the InChIKey of 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one?
The InChIKey is XNDXNGIWCBIQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(13)6-10-4-5-12(3)11(10)7-9(2)14/h10-11H,4-7H2,1-3H3.
What are the key properties of 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one?
1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-2-(2-oxopropyl)pyrrolidin-3-yl]propan-2-one is sourced from PubChem (CID 175665133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).