(2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one

C10H15NO3 — CID 135055433

IUPAC(2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one
SMILESCC(=O)C[C@]1(C)C(=O)CCN1C(C)=O
InChIInChI=1S/C10H15NO3/c1-7(12)6-10(3)9(14)4-5-11(10)8(2)13/h4-6H2,1-3H3/t10-/m1/s1
InChIKeySBHIKEZRRKGWPS-SNVBAGLBSA-N
MW197.23 g/mol
LogP0.55
Rot. Bonds2

About (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one

(2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one (PubChem CID 135055433) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one.

Molecular Properties

Compound Name(2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one
PubChem CID135055433
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one
SMILESCC(=O)C[C@]1(C)C(=O)CCN1C(C)=O
InChIInChI=1S/C10H15NO3/c1-7(12)6-10(3)9(14)4-5-11(10)8(2)13/h4-6H2,1-3H3/t10-/m1/s1
InChIKeySBHIKEZRRKGWPS-SNVBAGLBSA-N
XLogP0.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one?
The IUPAC name of (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one (CID 135055433) is (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one.
What is the SMILES notation for (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one?
The canonical SMILES for (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one is CC(=O)C[C@]1(C)C(=O)CCN1C(C)=O.
What is the InChIKey of (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one?
The InChIKey is SBHIKEZRRKGWPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(12)6-10(3)9(14)4-5-11(10)8(2)13/h4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one?
(2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one has a molecular weight of 197.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-methyl-2-(2-oxopropyl)pyrrolidin-3-one is sourced from PubChem (CID 135055433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).