N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide

C10H11NO2 — CID 129144655

IUPACN-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1\C=C(C)C(=O)C=C1C
InChIInChI=1S/C10H11NO2/c1-6-5-10(13)7(2)4-9(6)11-8(3)12/h4-5H,1-3H3/b11-9+
InChIKeyICWGHPYFTZCLBJ-PKNBQFBNSA-N
MW177.20 g/mol
LogP1.45
Rot. Bonds

About N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide

N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide (PubChem CID 129144655) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
PubChem CID129144655
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1\C=C(C)C(=O)C=C1C
InChIInChI=1S/C10H11NO2/c1-6-5-10(13)7(2)4-9(6)11-8(3)12/h4-5H,1-3H3/b11-9+
InChIKeyICWGHPYFTZCLBJ-PKNBQFBNSA-N
XLogP1.45
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4,6,6-Tetramethyl-3(6H)-pyridinone
CID 21775038
4-Methoxyimino-2,3,6-trimethylcyclohexa-2,5-dien-1-one
CID 267144
N-Acetyl-3,5-dimethyl-4-benzoquinone imine
CID 126483
Acetyl-2,6-dimethyl-4-benzoquinone imine
CID 156311
N-(3-Methyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
CID 18338381
Benz[b]azocinedione
CID 19879807
5,6,7,8-Tetra-hydroquinolinedione
CID 66599949
N-(3-acetyl-4-oxocyclohexa-2,5-dienylidene)butyramide
CID 122363710
(4Z)-4-methoxyimino-2,3,6-trimethylcyclohexa-2,5-dien-1-one
CID 5972573
N-(2-ethyl-6-oxocyclohexa-2,4-dien-1-ylidene)acetamide
CID 85783418
N-acetyl-2,5-dimethyl-6-chloro-1,4-benzoquinone monoimine
CID 129742037
N-acetyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine
CID 129742076

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide?
The IUPAC name of N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide (CID 129144655) is N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide?
The canonical SMILES for N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide is CC(=O)/N=C1\C=C(C)C(=O)C=C1C.
What is the InChIKey of N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide?
The InChIKey is ICWGHPYFTZCLBJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-5-10(13)7(2)4-9(6)11-8(3)12/h4-5H,1-3H3/b11-9+.
What are the key properties of N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide?
N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide has a molecular weight of 177.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide is sourced from PubChem (CID 129144655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).