dimethyl-(7-methylphenoxazin-3-ylidene)azanium

C15H15N2O+ — CID 58536634

IUPACdimethyl-(7-methylphenoxazin-3-ylidene)azanium
SMILESCc1ccc2nc3ccc(=[N+](C)C)cc-3oc2c1
InChIInChI=1S/C15H15N2O/c1-10-4-6-12-14(8-10)18-15-9-11(17(2)3)5-7-13(15)16-12/h4-9H,1-3H3/q+1
InChIKeyPVMAOVNAVJKMOS-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.27
Rot. Bonds

About dimethyl-(7-methylphenoxazin-3-ylidene)azanium

dimethyl-(7-methylphenoxazin-3-ylidene)azanium (PubChem CID 58536634) has the molecular formula C15H15N2O+ and a molecular weight of 239.30 g/mol. Its IUPAC name is dimethyl-(7-methylphenoxazin-3-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(7-methylphenoxazin-3-ylidene)azanium
PubChem CID58536634
Molecular FormulaC15H15N2O+
Molecular Weight239.30 g/mol
Exact Mass239.12
IUPAC Namedimethyl-(7-methylphenoxazin-3-ylidene)azanium
SMILESCc1ccc2nc3ccc(=[N+](C)C)cc-3oc2c1
InChIInChI=1S/C15H15N2O/c1-10-4-6-12-14(8-10)18-15-9-11(17(2)3)5-7-13(15)16-12/h4-9H,1-3H3/q+1
InChIKeyPVMAOVNAVJKMOS-UHFFFAOYSA-N
XLogP2.27
TPSA29.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(7-methylphenoxazin-3-ylidene)azanium?
The IUPAC name of dimethyl-(7-methylphenoxazin-3-ylidene)azanium (CID 58536634) is dimethyl-(7-methylphenoxazin-3-ylidene)azanium.
What is the SMILES notation for dimethyl-(7-methylphenoxazin-3-ylidene)azanium?
The canonical SMILES for dimethyl-(7-methylphenoxazin-3-ylidene)azanium is Cc1ccc2nc3ccc(=[N+](C)C)cc-3oc2c1.
What is the InChIKey of dimethyl-(7-methylphenoxazin-3-ylidene)azanium?
The InChIKey is PVMAOVNAVJKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O/c1-10-4-6-12-14(8-10)18-15-9-11(17(2)3)5-7-13(15)16-12/h4-9H,1-3H3/q+1.
What are the key properties of dimethyl-(7-methylphenoxazin-3-ylidene)azanium?
dimethyl-(7-methylphenoxazin-3-ylidene)azanium has a molecular weight of 239.30 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(7-methylphenoxazin-3-ylidene)azanium is sourced from PubChem (CID 58536634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).