6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one

C16H17NO4S — CID 99877879

IUPAC6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
SMILESCc1cc(O[C@@H]2CCN(C(=O)c3ccc(C)s3)C2)cc(=O)o1
InChIInChI=1S/C16H17NO4S/c1-10-7-13(8-15(18)20-10)21-12-5-6-17(9-12)16(19)14-4-3-11(2)22-14/h3-4,7-8,12H,5-6,9H2,1-2H3/t12-/m1/s1
InChIKeyFOXGXYPLKFYQIV-GFCCVEGCSA-N
MW319.38 g/mol
LogP2.61
Rot. Bonds3

About 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one

6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one (PubChem CID 99877879) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one.

Molecular Properties

Compound Name6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
PubChem CID99877879
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
SMILESCc1cc(O[C@@H]2CCN(C(=O)c3ccc(C)s3)C2)cc(=O)o1
InChIInChI=1S/C16H17NO4S/c1-10-7-13(8-15(18)20-10)21-12-5-6-17(9-12)16(19)14-4-3-11(2)22-14/h3-4,7-8,12H,5-6,9H2,1-2H3/t12-/m1/s1
InChIKeyFOXGXYPLKFYQIV-GFCCVEGCSA-N
XLogP2.61
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,4-dichlorobenzoyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628714
4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628768
4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628699
6-methyl-4-[1-(quinoline-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 90628747
2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90628576
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 90628813
6-methyl-4-[(3R)-1-(1-methyl-3-phenylpyrazole-5-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877849
6-methyl-4-[(3S)-1-(1-methyl-3-phenylpyrazole-5-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877851
4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628717
6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
CID 129410643
4-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628984

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one?
The IUPAC name of 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one (CID 99877879) is 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one.
What is the SMILES notation for 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one?
The canonical SMILES for 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one is Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(C)s3)C2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one?
The InChIKey is FOXGXYPLKFYQIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-10-7-13(8-15(18)20-10)21-12-5-6-17(9-12)16(19)14-4-3-11(2)22-14/h3-4,7-8,12H,5-6,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one?
6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one has a molecular weight of 319.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one is sourced from PubChem (CID 99877879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).