(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one

C13H20N2OS — CID 97273176

IUPAC(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nc(CN2C[C@H](CC(C)C)CC2=O)cs1
InChIInChI=1S/C13H20N2OS/c1-9(2)4-11-5-13(16)15(6-11)7-12-8-17-10(3)14-12/h8-9,11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyYQDZHISUVFGPSU-LLVKDONJSA-N
MW252.38 g/mol
LogP2.85
Rot. Bonds4

About (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one

(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 97273176) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID97273176
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nc(CN2C[C@H](CC(C)C)CC2=O)cs1
InChIInChI=1S/C13H20N2OS/c1-9(2)4-11-5-13(16)15(6-11)7-12-8-17-10(3)14-12/h8-9,11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyYQDZHISUVFGPSU-LLVKDONJSA-N
XLogP2.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one (CID 97273176) is (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one is Cc1nc(CN2C[C@H](CC(C)C)CC2=O)cs1.
What is the InChIKey of (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is YQDZHISUVFGPSU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)4-11-5-13(16)15(6-11)7-12-8-17-10(3)14-12/h8-9,11H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 252.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 97273176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).