N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide

C14H12N2O — CID 100952886

IUPACN-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
SMILES[H]N=C1C=CC(=C2C=CC(=NC(C)=O)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/b12-11-,15-13-,16-14+
InChIKeyUFGHOEVTEIKPCF-YGJQIFJGSA-N
MW224.26 g/mol
LogP2.54
Rot. Bonds

About N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide

N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (PubChem CID 100952886) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
PubChem CID100952886
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC NameN-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
SMILES[H]N=C1C=CC(=C2C=CC(=NC(C)=O)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/b12-11-,15-13-,16-14+
InChIKeyUFGHOEVTEIKPCF-YGJQIFJGSA-N
XLogP2.54
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
[4-(4-Acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium
CID 100952885
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 N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The IUPAC name of N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (CID 100952886) is N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The canonical SMILES for N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is [H]N=C1C=CC(=C2C=CC(=NC(C)=O)C=C2)C=C1.
What is the InChIKey of N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The InChIKey is UFGHOEVTEIKPCF-YGJQIFJGSA-N. 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/b12-11-,15-13-,16-14+.
What are the key properties of N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide has a molecular weight of 224.26 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is sourced from PubChem (CID 100952886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).