2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one

C16H17NO2 — CID 72747116

IUPAC2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C=Cc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C16H17NO2/c1-12-10-15(18)11-16(19-12)9-6-13-4-7-14(8-5-13)17(2)3/h4-11H,1-3H3
InChIKeySUMZYRMVXWSCPQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.18
Rot. Bonds3

About 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one

2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one (PubChem CID 72747116) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one
PubChem CID72747116
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C=Cc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C16H17NO2/c1-12-10-15(18)11-16(19-12)9-6-13-4-7-14(8-5-13)17(2)3/h4-11H,1-3H3
InChIKeySUMZYRMVXWSCPQ-UHFFFAOYSA-N
XLogP3.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one
CID 67991191
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-hydroxychromen-4-one
CID 69269215
2,6-bis[(E)-2-phenylethenyl]pyran-4-one
CID 6142827
2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
CID 85196120
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione
CID 11716497
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one
CID 15683779
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile
CID 162787652

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one (CID 72747116) is 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one is Cc1cc(=O)cc(C=Cc2ccc(N(C)C)cc2)o1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one?
The InChIKey is SUMZYRMVXWSCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-10-15(18)11-16(19-12)9-6-13-4-7-14(8-5-13)17(2)3/h4-11H,1-3H3.
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one?
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one has a molecular weight of 255.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one is sourced from PubChem (CID 72747116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).