diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium

C14H18NO2+ — CID 12748904

IUPACdiethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium
SMILESCC[N+](CC)=c1cc(C)c2ccc(O)cc2o1
InChIInChI=1S/C14H17NO2/c1-4-15(5-2)14-8-10(3)12-7-6-11(16)9-13(12)17-14/h6-9H,4-5H2,1-3H3/p+1
InChIKeyLPPDQUVUYOILDS-UHFFFAOYSA-O
MW232.30 g/mol
LogP2.26
Rot. Bonds2

About diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium

diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium (PubChem CID 12748904) has the molecular formula C14H18NO2+ and a molecular weight of 232.30 g/mol. Its IUPAC name is diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium.

Molecular Properties

Compound Namediethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium
PubChem CID12748904
Molecular FormulaC14H18NO2+
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Namediethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium
SMILESCC[N+](CC)=c1cc(C)c2ccc(O)cc2o1
InChIInChI=1S/C14H17NO2/c1-4-15(5-2)14-8-10(3)12-7-6-11(16)9-13(12)17-14/h6-9H,4-5H2,1-3H3/p+1
InChIKeyLPPDQUVUYOILDS-UHFFFAOYSA-O
XLogP2.26
TPSA36.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium?
The IUPAC name of diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium (CID 12748904) is diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium.
What is the SMILES notation for diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium?
The canonical SMILES for diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium is CC[N+](CC)=c1cc(C)c2ccc(O)cc2o1.
What is the InChIKey of diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium?
The InChIKey is LPPDQUVUYOILDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17NO2/c1-4-15(5-2)14-8-10(3)12-7-6-11(16)9-13(12)17-14/h6-9H,4-5H2,1-3H3/p+1.
What are the key properties of diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium?
diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium has a molecular weight of 232.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium is sourced from PubChem (CID 12748904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).