N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide

C15H15NO2 — CID 86189444

IUPACN-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide
SMILESCC(=O)/N=c1\cc(C)oc(-c2ccccc2)c1C
InChIInChI=1S/C15H15NO2/c1-10-9-14(16-12(3)17)11(2)15(18-10)13-7-5-4-6-8-13/h4-9H,1-3H3/b16-14+
InChIKeyLAWFCZMEIJIDEJ-JQIJEIRASA-N
MW241.29 g/mol
LogP3.01
Rot. Bonds1

About N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide

N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide (PubChem CID 86189444) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide
PubChem CID86189444
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide
SMILESCC(=O)/N=c1\cc(C)oc(-c2ccccc2)c1C
InChIInChI=1S/C15H15NO2/c1-10-9-14(16-12(3)17)11(2)15(18-10)13-7-5-4-6-8-13/h4-9H,1-3H3/b16-14+
InChIKeyLAWFCZMEIJIDEJ-JQIJEIRASA-N
XLogP3.01
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide?
The IUPAC name of N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide (CID 86189444) is N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide.
What is the SMILES notation for N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide?
The canonical SMILES for N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide is CC(=O)/N=c1\cc(C)oc(-c2ccccc2)c1C.
What is the InChIKey of N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide?
The InChIKey is LAWFCZMEIJIDEJ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-9-14(16-12(3)17)11(2)15(18-10)13-7-5-4-6-8-13/h4-9H,1-3H3/b16-14+.
What are the key properties of N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide?
N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide has a molecular weight of 241.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide is sourced from PubChem (CID 86189444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).