1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one

C11H19N3OS — CID 136864241

IUPAC1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one
SMILESCC(C)C1CS/C(=N\C2CCN(C)C2=O)N1
InChIInChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(13-9)12-8-4-5-14(3)10(8)15/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeySPBSIEXMTVOLKY-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.93
Rot. Bonds2

About 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one

1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one (PubChem CID 136864241) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one
PubChem CID136864241
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one
SMILESCC(C)C1CS/C(=N\C2CCN(C)C2=O)N1
InChIInChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(13-9)12-8-4-5-14(3)10(8)15/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeySPBSIEXMTVOLKY-UHFFFAOYSA-N
XLogP0.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one (CID 136864241) is 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one is CC(C)C1CS/C(=N\C2CCN(C)C2=O)N1.
What is the InChIKey of 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one?
The InChIKey is SPBSIEXMTVOLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(13-9)12-8-4-5-14(3)10(8)15/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one?
1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one has a molecular weight of 241.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one is sourced from PubChem (CID 136864241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).