[4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium

C14H13N2O+ — CID 100952885

IUPAC[4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium
SMILESCC(=O)N=C1C=CC(=C2C=CC(=[NH2+])C=C2)C=C1
InChIInChI=1S/C14H12N2O/c1-10(17)16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9,15H,1H3/p+1/b12-11-,15-13?,16-14-
InChIKeyUFGHOEVTEIKPCF-ABUMBURPSA-O
MW225.27 g/mol
LogP0.72
Rot. Bonds

About [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium

[4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium (PubChem CID 100952885) has the molecular formula C14H13N2O+ and a molecular weight of 225.27 g/mol. Its IUPAC name is [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium.

Molecular Properties

Compound Name[4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium
PubChem CID100952885
Molecular FormulaC14H13N2O+
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name[4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium
SMILESCC(=O)N=C1C=CC(=C2C=CC(=[NH2+])C=C2)C=C1
InChIInChI=1S/C14H12N2O/c1-10(17)16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9,15H,1H3/p+1/b12-11-,15-13?,16-14-
InChIKeyUFGHOEVTEIKPCF-ABUMBURPSA-O
XLogP0.72
TPSA55.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetyl-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 59850016
N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide
CID 59850017
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
[(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea
CID 123593160
Acetyl-(3-methylcyclohexa-2,4-dien-1-ylidene)azanium
CID 123751970
(3Z)-2-imino-6-methylhepta-3,5-dienamide
CID 126540319
N-(3H-naphthalen-3-ylium-2-ylidene)acetamide
CID 100944474
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 100944528
Acetyl-[4-[2-(4-iminocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium
CID 100945645
N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
CID 100952886
N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 123751971
N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
CID 136680457

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium?
The IUPAC name of [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium (CID 100952885) is [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium.
What is the SMILES notation for [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium?
The canonical SMILES for [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium is CC(=O)N=C1C=CC(=C2C=CC(=[NH2+])C=C2)C=C1.
What is the InChIKey of [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium?
The InChIKey is UFGHOEVTEIKPCF-ABUMBURPSA-O. The full InChI is InChI=1S/C14H12N2O/c1-10(17)16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9,15H,1H3/p+1/b12-11-,15-13?,16-14-.
What are the key properties of [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium?
[4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium has a molecular weight of 225.27 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium is sourced from PubChem (CID 100952885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).