4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium

C14H13N2O3+ — CID 15475388

IUPAC4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium
SMILESC=CCOc1c([N+]#N)cc2c(C)cc(=O)oc2c1C
InChIInChI=1S/C14H13N2O3/c1-4-5-18-14-9(3)13-10(7-11(14)16-15)8(2)6-12(17)19-13/h4,6-7H,1,5H2,2-3H3/q+1
InChIKeyGNRBCUBVJHKSSV-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.46
Rot. Bonds3

About 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium

4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium (PubChem CID 15475388) has the molecular formula C14H13N2O3+ and a molecular weight of 257.27 g/mol. Its IUPAC name is 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium.

Molecular Properties

Compound Name4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium
PubChem CID15475388
Molecular FormulaC14H13N2O3+
Molecular Weight257.27 g/mol
Exact Mass257.09
IUPAC Name4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium
SMILESC=CCOc1c([N+]#N)cc2c(C)cc(=O)oc2c1C
InChIInChI=1S/C14H13N2O3/c1-4-5-18-14-9(3)13-10(7-11(14)16-15)8(2)6-12(17)19-13/h4,6-7H,1,5H2,2-3H3/q+1
InChIKeyGNRBCUBVJHKSSV-UHFFFAOYSA-N
XLogP3.46
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one
CID 3998544
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 18612305
7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
CID 13298920
(4,6-dimethyl-2-oxo-8-prop-2-enylchromen-7-yl) acetate
CID 13298923
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 174817988
3-[2-(2-aminoethoxy)ethoxymethyl]-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 15461706
8-[3-(4-chlorophenyl)prop-2-enoyl]-4-methyl-7-prop-2-enoxychromen-2-one
CID 86586316
7-hydroxy-4,5-dimethyl-8-prop-2-enylchromen-2-one
CID 12900448
8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one
CID 22889016
9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 10106552

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium?
The IUPAC name of 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium (CID 15475388) is 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium.
What is the SMILES notation for 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium?
The canonical SMILES for 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium is C=CCOc1c([N+]#N)cc2c(C)cc(=O)oc2c1C.
What is the InChIKey of 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium?
The InChIKey is GNRBCUBVJHKSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2O3/c1-4-5-18-14-9(3)13-10(7-11(14)16-15)8(2)6-12(17)19-13/h4,6-7H,1,5H2,2-3H3/q+1.
What are the key properties of 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium?
4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium has a molecular weight of 257.27 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium is sourced from PubChem (CID 15475388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).