N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide

C9H8INO — CID 163949491

IUPACN-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide
SMILESC=C1C=CC(I)=C/C1=N\C(C)=O
InChIInChI=1S/C9H8INO/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,1H2,2H3/b11-9+
InChIKeyRYBMRDUJRNIXGF-PKNBQFBNSA-N
MW273.07 g/mol
LogP2.42
Rot. Bonds

About N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide

N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide (PubChem CID 163949491) has the molecular formula C9H8INO and a molecular weight of 273.07 g/mol. Its IUPAC name is N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide
PubChem CID163949491
Molecular FormulaC9H8INO
Molecular Weight273.07 g/mol
Exact Mass272.97
IUPAC NameN-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide
SMILESC=C1C=CC(I)=C/C1=N\C(C)=O
InChIInChI=1S/C9H8INO/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,1H2,2H3/b11-9+
InChIKeyRYBMRDUJRNIXGF-PKNBQFBNSA-N
XLogP2.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
7-Iodo-1-benzazepin-2-one
CID 21454129
5-Ethylindol-2-one
CID 23212401
3-Iodo-1-benzazepin-2-one
CID 53412041
6-Iodoindol-2-one
CID 67428015
3-Iodoindol-2-one
CID 69590010
N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 90448187
ethane;3-methyl-3H-quinolin-2-one
CID 91141532

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide?
The IUPAC name of N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide (CID 163949491) is N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide?
The canonical SMILES for N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide is C=C1C=CC(I)=C/C1=N\C(C)=O.
What is the InChIKey of N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide?
The InChIKey is RYBMRDUJRNIXGF-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H8INO/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,1H2,2H3/b11-9+.
What are the key properties of N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide?
N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide has a molecular weight of 273.07 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)acetamide is sourced from PubChem (CID 163949491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).