4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one

C19H17NO3 — CID 15683779

IUPAC4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one
SMILESCN(C)c1ccc(/C=C/c2cc(=O)oc3cc(O)ccc23)cc1
InChIInChI=1S/C19H17NO3/c1-20(2)15-7-4-13(5-8-15)3-6-14-11-19(22)23-18-12-16(21)9-10-17(14)18/h3-12,21H,1-2H3/b6-3+
InChIKeyYGIZQLBYFJKBIF-ZZXKWVIFSA-N
MW307.35 g/mol
LogP3.73
Rot. Bonds3

About 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one

4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one (PubChem CID 15683779) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one
PubChem CID15683779
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one
SMILESCN(C)c1ccc(/C=C/c2cc(=O)oc3cc(O)ccc23)cc1
InChIInChI=1S/C19H17NO3/c1-20(2)15-7-4-13(5-8-15)3-6-14-11-19(22)23-18-12-16(21)9-10-17(14)18/h3-12,21H,1-2H3/b6-3+
InChIKeyYGIZQLBYFJKBIF-ZZXKWVIFSA-N
XLogP3.73
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one?
The IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one (CID 15683779) is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one.
What is the SMILES notation for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one?
The canonical SMILES for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one is CN(C)c1ccc(/C=C/c2cc(=O)oc3cc(O)ccc23)cc1.
What is the InChIKey of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one?
The InChIKey is YGIZQLBYFJKBIF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H17NO3/c1-20(2)15-7-4-13(5-8-15)3-6-14-11-19(22)23-18-12-16(21)9-10-17(14)18/h3-12,21H,1-2H3/b6-3+.
What are the key properties of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one?
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one is sourced from PubChem (CID 15683779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).