6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one

C19H21NO4 — CID 129410643

IUPAC6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
SMILESCc1cccc(CC(=O)N2CC[C@@H](Oc3cc(C)oc(=O)c3)C2)c1
InChIInChI=1S/C19H21NO4/c1-13-4-3-5-15(8-13)10-18(21)20-7-6-16(12-20)24-17-9-14(2)23-19(22)11-17/h3-5,8-9,11,16H,6-7,10,12H2,1-2H3/t16-/m1/s1
InChIKeySJODOELFWXHNCE-MRXNPFEDSA-N
MW327.38 g/mol
LogP2.48
Rot. Bonds4

About 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one

6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one (PubChem CID 129410643) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one.

Molecular Properties

Compound Name6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
PubChem CID129410643
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
SMILESCc1cccc(CC(=O)N2CC[C@@H](Oc3cc(C)oc(=O)c3)C2)c1
InChIInChI=1S/C19H21NO4/c1-13-4-3-5-15(8-13)10-18(21)20-7-6-16(12-20)24-17-9-14(2)23-19(22)11-17/h3-5,8-9,11,16H,6-7,10,12H2,1-2H3/t16-/m1/s1
InChIKeySJODOELFWXHNCE-MRXNPFEDSA-N
XLogP2.48
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 90628659
6-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyran-2-one
CID 90628781
4-[1-[3-(4-bromophenyl)propanoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628629
4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628717
4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628516
2,5-dimethyl-N-[2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90628600
1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90636962
6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one
CID 90629096
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90628576
6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one
CID 90629092
6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877879

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one?
The IUPAC name of 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one (CID 129410643) is 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one.
What is the SMILES notation for 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one?
The canonical SMILES for 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one is Cc1cccc(CC(=O)N2CC[C@@H](Oc3cc(C)oc(=O)c3)C2)c1.
What is the InChIKey of 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one?
The InChIKey is SJODOELFWXHNCE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-4-3-5-15(8-13)10-18(21)20-7-6-16(12-20)24-17-9-14(2)23-19(22)11-17/h3-5,8-9,11,16H,6-7,10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one?
6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one is sourced from PubChem (CID 129410643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).