(3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one

C12H19NO3 — CID 59951657

IUPAC(3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CC[C@H]1C[C@@H](C)N(CC(C)=O)C1=O
InChIInChI=1S/C12H19NO3/c1-8-6-11(5-4-9(2)14)12(16)13(8)7-10(3)15/h8,11H,4-7H2,1-3H3/t8-,11+/m1/s1
InChIKeyDDAZZWDCNIWLOH-KCJUWKMLSA-N
MW225.29 g/mol
LogP1.18
Rot. Bonds5

About (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one

(3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one (PubChem CID 59951657) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one
PubChem CID59951657
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CC[C@H]1C[C@@H](C)N(CC(C)=O)C1=O
InChIInChI=1S/C12H19NO3/c1-8-6-11(5-4-9(2)14)12(16)13(8)7-10(3)15/h8,11H,4-7H2,1-3H3/t8-,11+/m1/s1
InChIKeyDDAZZWDCNIWLOH-KCJUWKMLSA-N
XLogP1.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
The IUPAC name of (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one (CID 59951657) is (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
The canonical SMILES for (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one is CC(=O)CC[C@H]1C[C@@H](C)N(CC(C)=O)C1=O.
What is the InChIKey of (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
The InChIKey is DDAZZWDCNIWLOH-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-6-11(5-4-9(2)14)12(16)13(8)7-10(3)15/h8,11H,4-7H2,1-3H3/t8-,11+/m1/s1.
What are the key properties of (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
(3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one is sourced from PubChem (CID 59951657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).