2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one

C19H17NO2 — CID 67991191

IUPAC2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one
SMILESCN(C)c1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H17NO2/c1-20(2)15-10-7-14(8-11-15)9-12-16-13-18(21)17-5-3-4-6-19(17)22-16/h3-13H,1-2H3/b12-9+
InChIKeyXCZVOFABZKOOEN-FMIVXFBMSA-N
MW291.35 g/mol
LogP4.03
Rot. Bonds3

About 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one

2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one (PubChem CID 67991191) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one.

Molecular Properties

Compound Name2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one
PubChem CID67991191
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one
SMILESCN(C)c1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H17NO2/c1-20(2)15-10-7-14(8-11-15)9-12-16-13-18(21)17-5-3-4-6-19(17)22-16/h3-13H,1-2H3/b12-9+
InChIKeyXCZVOFABZKOOEN-FMIVXFBMSA-N
XLogP4.03
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.03
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

3(2H)-Benzofuranone, 2-((4-(dimethylamino)phenyl)methylene)-
CID 5900716
2-(4-Nitrophenyl)-4H-chromen-4-one
CID 622510
Salverine
CID 65585
10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
CID 453917
10-Isopropyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
CID 453918
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
6-Iodo-4'-dimethyaminoflavone
CID 11574659
6-Iodo-4'-methylaminoflavone
CID 11632242
3-(4-(Dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 5331296
3-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}-4-hydroxy-2H-chromen-2-one
CID 54707106
2-methoxy-N-(4-methylphenyl)benzamide
CID 780793

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one?
The IUPAC name of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one (CID 67991191) is 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one.
What is the SMILES notation for 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one?
The canonical SMILES for 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one is CN(C)c1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one?
The InChIKey is XCZVOFABZKOOEN-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H17NO2/c1-20(2)15-10-7-14(8-11-15)9-12-16-13-18(21)17-5-3-4-6-19(17)22-16/h3-13H,1-2H3/b12-9+.
What are the key properties of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one?
2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one has a molecular weight of 291.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one is sourced from PubChem (CID 67991191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).