(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate

C15H16ClNO4 — CID 10979801

IUPAC(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate
SMILESC[N+](C)=C1C=CC(=C2C=CC=CC=C2)C=C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H16N.ClHO4/c1-16(2)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyHYCZPOASQNQHHP-UHFFFAOYSA-M
MW309.75 g/mol
LogP-1.95
Rot. Bonds

About (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate

(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate (PubChem CID 10979801) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate.

Molecular Properties

Compound Name(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate
PubChem CID10979801
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate
SMILESC[N+](C)=C1C=CC(=C2C=CC=CC=C2)C=C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H16N.ClHO4/c1-16(2)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyHYCZPOASQNQHHP-UHFFFAOYSA-M
XLogP-1.95
TPSA95.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
Dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 101015672
Dimethyl-(4-selenopyran-4-ylidenecyclohexa-2,5-dien-1-ylidene)azanium perchlorate
CID 176441489
[4-(2,6-Ditert-butylselenopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium perchlorate
CID 176441491
Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
(4-Methanidylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 57880709
[4-(2,6-Dimethylselenopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium perchlorate
CID 88701038
Dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 123872429
Dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium
CID 123949741
Dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride
CID 159522972
ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium
CID 171089882
(4-Cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 10979802

Frequently Asked Questions

What is the IUPAC name of (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate?
The IUPAC name of (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate (CID 10979801) is (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate.
What is the SMILES notation for (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate?
The canonical SMILES for (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate is C[N+](C)=C1C=CC(=C2C=CC=CC=C2)C=C1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate?
The InChIKey is HYCZPOASQNQHHP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16N.ClHO4/c1-16(2)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate?
(4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate has a molecular weight of 309.75 g/mol, XLogP of -1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate is sourced from PubChem (CID 10979801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).