4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one

C14H15NO2 — CID 134911927

IUPAC4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one
SMILESCc1ccc(-c2cc(N(C)C)cc(=O)o2)cc1
InChIInChI=1S/C14H15NO2/c1-10-4-6-11(7-5-10)13-8-12(15(2)3)9-14(16)17-13/h4-9H,1-3H3
InChIKeyPKYFLYAPTBTDEZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.68
Rot. Bonds2

About 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one

4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one (PubChem CID 134911927) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one
PubChem CID134911927
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one
SMILESCc1ccc(-c2cc(N(C)C)cc(=O)o2)cc1
InChIInChI=1S/C14H15NO2/c1-10-4-6-11(7-5-10)13-8-12(15(2)3)9-14(16)17-13/h4-9H,1-3H3
InChIKeyPKYFLYAPTBTDEZ-UHFFFAOYSA-N
XLogP2.68
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one?
The IUPAC name of 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one (CID 134911927) is 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one.
What is the SMILES notation for 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one?
The canonical SMILES for 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one is Cc1ccc(-c2cc(N(C)C)cc(=O)o2)cc1.
What is the InChIKey of 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one?
The InChIKey is PKYFLYAPTBTDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-4-6-11(7-5-10)13-8-12(15(2)3)9-14(16)17-13/h4-9H,1-3H3.
What are the key properties of 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one?
4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-(4-methylphenyl)pyran-2-one is sourced from PubChem (CID 134911927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).