2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one

C13H15NO2 — CID 5068075

IUPAC2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one
SMILESCc1cccc(NC2=CC(=O)OC(C)C2)c1
InChIInChI=1S/C13H15NO2/c1-9-4-3-5-11(6-9)14-12-7-10(2)16-13(15)8-12/h3-6,8,10,14H,7H2,1-2H3
InChIKeyDJCHGQWVMLYJIQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.63
Rot. Bonds2

About 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one

2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one (PubChem CID 5068075) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one
PubChem CID5068075
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one
SMILESCc1cccc(NC2=CC(=O)OC(C)C2)c1
InChIInChI=1S/C13H15NO2/c1-9-4-3-5-11(6-9)14-12-7-10(2)16-13(15)8-12/h3-6,8,10,14H,7H2,1-2H3
InChIKeyDJCHGQWVMLYJIQ-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one?
The IUPAC name of 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one (CID 5068075) is 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one is Cc1cccc(NC2=CC(=O)OC(C)C2)c1.
What is the InChIKey of 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one?
The InChIKey is DJCHGQWVMLYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-4-3-5-11(6-9)14-12-7-10(2)16-13(15)8-12/h3-6,8,10,14H,7H2,1-2H3.
What are the key properties of 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one?
2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one has a molecular weight of 217.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylanilino)-2,3-dihydropyran-6-one is sourced from PubChem (CID 5068075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).