6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one

C18H16N2O2 — CID 789450

IUPAC6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one
SMILESCN(C)c1ccc(/C=N/c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C18H16N2O2/c1-20(2)16-7-3-13(4-8-16)12-19-15-6-9-17-14(11-15)5-10-18(21)22-17/h3-12H,1-2H3/b19-12+
InChIKeyZKQGSSZNZGKUHL-XDHOZWIPSA-N
MW292.34 g/mol
LogP3.61
Rot. Bonds3

About 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one

6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one (PubChem CID 789450) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one.

Molecular Properties

Compound Name6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one
PubChem CID789450
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one
SMILESCN(C)c1ccc(/C=N/c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C18H16N2O2/c1-20(2)16-7-3-13(4-8-16)12-19-15-6-9-17-14(11-15)5-10-18(21)22-17/h3-12H,1-2H3/b19-12+
InChIKeyZKQGSSZNZGKUHL-XDHOZWIPSA-N
XLogP3.61
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one?
The IUPAC name of 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one (CID 789450) is 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one.
What is the SMILES notation for 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one?
The canonical SMILES for 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one is CN(C)c1ccc(/C=N/c2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one?
The InChIKey is ZKQGSSZNZGKUHL-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20(2)16-7-3-13(4-8-16)12-19-15-6-9-17-14(11-15)5-10-18(21)22-17/h3-12H,1-2H3/b19-12+.
What are the key properties of 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one?
6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)phenyl]methylideneamino]chromen-2-one is sourced from PubChem (CID 789450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).