dimethyl-(2-methylchromen-7-ylidene)azanium

C12H14NO+ — CID 20528748

IUPACdimethyl-(2-methylchromen-7-ylidene)azanium
SMILESCc1ccc2ccc(=[N+](C)C)cc-2o1
InChIInChI=1S/C12H14NO/c1-9-4-5-10-6-7-11(13(2)3)8-12(10)14-9/h4-8H,1-3H3/q+1
InChIKeyWTDVGHGDIILZRY-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.72
Rot. Bonds

About dimethyl-(2-methylchromen-7-ylidene)azanium

dimethyl-(2-methylchromen-7-ylidene)azanium (PubChem CID 20528748) has the molecular formula C12H14NO+ and a molecular weight of 188.25 g/mol. Its IUPAC name is dimethyl-(2-methylchromen-7-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(2-methylchromen-7-ylidene)azanium
PubChem CID20528748
Molecular FormulaC12H14NO+
Molecular Weight188.25 g/mol
Exact Mass188.11
IUPAC Namedimethyl-(2-methylchromen-7-ylidene)azanium
SMILESCc1ccc2ccc(=[N+](C)C)cc-2o1
InChIInChI=1S/C12H14NO/c1-9-4-5-10-6-7-11(13(2)3)8-12(10)14-9/h4-8H,1-3H3/q+1
InChIKeyWTDVGHGDIILZRY-UHFFFAOYSA-N
XLogP1.72
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 dimethyl-(2-methylchromen-7-ylidene)azanium?
The IUPAC name of dimethyl-(2-methylchromen-7-ylidene)azanium (CID 20528748) is dimethyl-(2-methylchromen-7-ylidene)azanium.
What is the SMILES notation for dimethyl-(2-methylchromen-7-ylidene)azanium?
The canonical SMILES for dimethyl-(2-methylchromen-7-ylidene)azanium is Cc1ccc2ccc(=[N+](C)C)cc-2o1.
What is the InChIKey of dimethyl-(2-methylchromen-7-ylidene)azanium?
The InChIKey is WTDVGHGDIILZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO/c1-9-4-5-10-6-7-11(13(2)3)8-12(10)14-9/h4-8H,1-3H3/q+1.
What are the key properties of dimethyl-(2-methylchromen-7-ylidene)azanium?
dimethyl-(2-methylchromen-7-ylidene)azanium has a molecular weight of 188.25 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylchromen-7-ylidene)azanium is sourced from PubChem (CID 20528748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).