4-anilino-2-methyl-2,3-dihydropyran-6-one

C12H13NO2 — CID 6914717

IUPAC4-anilino-2-methyl-2,3-dihydropyran-6-one
SMILESCC1CC(Nc2ccccc2)=CC(=O)O1
InChIInChI=1S/C12H13NO2/c1-9-7-11(8-12(14)15-9)13-10-5-3-2-4-6-10/h2-6,8-9,13H,7H2,1H3
InChIKeyZQAVEBPHFYSNMP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.32
Rot. Bonds2

About 4-anilino-2-methyl-2,3-dihydropyran-6-one

4-anilino-2-methyl-2,3-dihydropyran-6-one (PubChem CID 6914717) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-anilino-2-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-anilino-2-methyl-2,3-dihydropyran-6-one
PubChem CID6914717
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-anilino-2-methyl-2,3-dihydropyran-6-one
SMILESCC1CC(Nc2ccccc2)=CC(=O)O1
InChIInChI=1S/C12H13NO2/c1-9-7-11(8-12(14)15-9)13-10-5-3-2-4-6-10/h2-6,8-9,13H,7H2,1H3
InChIKeyZQAVEBPHFYSNMP-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 4-anilino-2-methyl-2,3-dihydropyran-6-one (CID 6914717) is 4-anilino-2-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-anilino-2-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 4-anilino-2-methyl-2,3-dihydropyran-6-one is CC1CC(Nc2ccccc2)=CC(=O)O1.
What is the InChIKey of 4-anilino-2-methyl-2,3-dihydropyran-6-one?
The InChIKey is ZQAVEBPHFYSNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-7-11(8-12(14)15-9)13-10-5-3-2-4-6-10/h2-6,8-9,13H,7H2,1H3.
What are the key properties of 4-anilino-2-methyl-2,3-dihydropyran-6-one?
4-anilino-2-methyl-2,3-dihydropyran-6-one has a molecular weight of 203.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 6914717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).