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

C16H14NO+ — CID 136680457

IUPACN-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESCC(=O)N=C1C=CC(=CC=C2C=CC=C[CH+]2)C=C1
InChIInChI=1S/C16H14NO/c1-13(18)17-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3/q+1/b15-8-,17-16+
InChIKeyYCGOXXPDVYOGAZ-DZJDTMBMSA-N
MW236.29 g/mol
LogP3.28
Rot. Bonds1

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

N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (PubChem CID 136680457) has the molecular formula C16H14NO+ and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
PubChem CID136680457
Molecular FormulaC16H14NO+
Molecular Weight236.29 g/mol
Exact Mass236.11
IUPAC NameN-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESCC(=O)N=C1C=CC(=CC=C2C=CC=C[CH+]2)C=C1
InChIInChI=1S/C16H14NO/c1-13(18)17-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3/q+1/b15-8-,17-16+
InChIKeyYCGOXXPDVYOGAZ-DZJDTMBMSA-N
XLogP3.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydroquinolinone
CID 56625474
[(6E)-6-methylimino-1-cyclohexa-2,4-dienylidene]methanone
CID 24975403
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 134893326
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458
N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide
CID 59850017
3-fluoro-4-methylquinolin-2(3H)-one
CID 71650944
(3R)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032449
(3S)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032450
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
Benzo[d][1]benzazepin-6-one
CID 23444272
6-pentyl-3H-quinolin-2-one
CID 57014668
6-chloro-3-methyl-3H-quinolin-2-one
CID 57222718

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The IUPAC name of N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (CID 136680457) is N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The canonical SMILES for N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is CC(=O)N=C1C=CC(=CC=C2C=CC=C[CH+]2)C=C1.
What is the InChIKey of N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The InChIKey is YCGOXXPDVYOGAZ-DZJDTMBMSA-N. The full InChI is InChI=1S/C16H14NO/c1-13(18)17-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3/q+1/b15-8-,17-16+.
What are the key properties of N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide has a molecular weight of 236.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is sourced from PubChem (CID 136680457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).