(2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide

C10H12NO- — CID 139249935

IUPAC(2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide
SMILESCC1=C(C)C(C)=C(C)C(=O)C1=[N-]
InChIInChI=1S/C10H12NO/c1-5-6(2)8(4)10(12)9(11)7(5)3/h1-4H3/q-1
InChIKeyPJJPEBAKONSRQL-UHFFFAOYSA-N
MW162.21 g/mol
LogP2.25
Rot. Bonds

About (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide

(2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide (PubChem CID 139249935) has the molecular formula C10H12NO- and a molecular weight of 162.21 g/mol. Its IUPAC name is (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide.

Molecular Properties

Compound Name(2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide
PubChem CID139249935
Molecular FormulaC10H12NO-
Molecular Weight162.21 g/mol
Exact Mass162.09
IUPAC Name(2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide
SMILESCC1=C(C)C(C)=C(C)C(=O)C1=[N-]
InChIInChI=1S/C10H12NO/c1-5-6(2)8(4)10(12)9(11)7(5)3/h1-4H3/q-1
InChIKeyPJJPEBAKONSRQL-UHFFFAOYSA-N
XLogP2.25
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Imino-2,3,4,5-tetramethylcyclohexa-2,4-dien-1-one
CID 139249931
(2,3,5,6-Tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)azanide
CID 139249932
2,3,4,5-Tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one
CID 22979278
2,3,5,6-Tetramethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 22979279
1-(4-Imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone
CID 123555746
4-Imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one
CID 130029498
2,3-Diethyl-6-iminocyclohexa-2,4-dien-1-one
CID 141341938
CID 131855474
CID 131855474
CID 131855476
CID 131855476

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide?
The IUPAC name of (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide (CID 139249935) is (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide.
What is the SMILES notation for (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide?
The canonical SMILES for (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide is CC1=C(C)C(C)=C(C)C(=O)C1=[N-].
What is the InChIKey of (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide?
The InChIKey is PJJPEBAKONSRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO/c1-5-6(2)8(4)10(12)9(11)7(5)3/h1-4H3/q-1.
What are the key properties of (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide?
(2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide has a molecular weight of 162.21 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide is sourced from PubChem (CID 139249935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).