dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium

C9H12N+ — CID 18457916

IUPACdimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESC=C1C=CC(=[N+](C)C)C=C1
InChIInChI=1S/C9H12N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1H2,2-3H3/q+1
InChIKeyMAYYPORCWYLNEC-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.38
Rot. Bonds

About dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium

dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 18457916) has the molecular formula C9H12N+ and a molecular weight of 134.20 g/mol. Its IUPAC name is dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID18457916
Molecular FormulaC9H12N+
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Namedimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESC=C1C=CC(=[N+](C)C)C=C1
InChIInChI=1S/C9H12N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1H2,2-3H3/q+1
InChIKeyMAYYPORCWYLNEC-UHFFFAOYSA-N
XLogP1.38
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium (CID 18457916) is dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium is C=C1C=CC(=[N+](C)C)C=C1.
What is the InChIKey of dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is MAYYPORCWYLNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1H2,2-3H3/q+1.
What are the key properties of dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 134.20 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 18457916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).