(4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium

C8H8NO+ — CID 163439372

IUPAC(4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium
SMILESCC1=CCC(=[N+]=C=O)C=C1
InChIInChI=1S/C8H8NO/c1-7-2-4-8(5-3-7)9-6-10/h2-4H,5H2,1H3/q+1
InChIKeyLNMHFCIDFSGNQB-UHFFFAOYSA-N
MW134.16 g/mol
LogP0.74
Rot. Bonds

About (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium

(4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium (PubChem CID 163439372) has the molecular formula C8H8NO+ and a molecular weight of 134.16 g/mol. Its IUPAC name is (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium.

Molecular Properties

Compound Name(4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium
PubChem CID163439372
Molecular FormulaC8H8NO+
Molecular Weight134.16 g/mol
Exact Mass134.06
IUPAC Name(4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium
SMILESCC1=CCC(=[N+]=C=O)C=C1
InChIInChI=1S/C8H8NO/c1-7-2-4-8(5-3-7)9-6-10/h2-4H,5H2,1H3/q+1
InChIKeyLNMHFCIDFSGNQB-UHFFFAOYSA-N
XLogP0.74
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-Methylbenzimidazol-2-one
CID 20064386
4-Methylbenzimidazolone
CID 20360222
Dimethylbenzimidazolone
CID 68557084
Propylbenzimidazolone
CID 69704668
Isopropenylbenzimidazolone
CID 70098456
[(6E)-6-methylimino-1-cyclohexa-2,4-dienylidene]methanone
CID 24975403
Divinylbenzimidazolone
CID 129814427
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 134893326
(6-Propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893386
(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

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium?
The IUPAC name of (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium (CID 163439372) is (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium.
What is the SMILES notation for (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium?
The canonical SMILES for (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium is CC1=CCC(=[N+]=C=O)C=C1.
What is the InChIKey of (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium?
The InChIKey is LNMHFCIDFSGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO/c1-7-2-4-8(5-3-7)9-6-10/h2-4H,5H2,1H3/q+1.
What are the key properties of (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium?
(4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium has a molecular weight of 134.16 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium is sourced from PubChem (CID 163439372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).