(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium

C7H11NO — CID 141138802

IUPAC(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
SMILESCC1([NH2+][O-])C=CC=CC1
InChIInChI=1S/C7H11NO/c1-7(8-9)5-3-2-4-6-7/h2-5H,6,8H2,1H3
InChIKeyXYGTVAZHYVVIFA-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.32
Rot. Bonds1

About (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium

(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium (PubChem CID 141138802) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium.

Molecular Properties

Compound Name(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
PubChem CID141138802
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
SMILESCC1([NH2+][O-])C=CC=CC1
InChIInChI=1S/C7H11NO/c1-7(8-9)5-3-2-4-6-7/h2-5H,6,8H2,1H3
InChIKeyXYGTVAZHYVVIFA-UHFFFAOYSA-N
XLogP0.32
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium 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

CID 163995556
CID 163995556
(1,4-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141041567
[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine
CID 139999917
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid
CID 175786929
cyclopentene;5,5-dimethylcyclohexa-1,3-diene
CID 173137560
(1-methylcyclohexa-2,4-dien-1-yl)hydrazine
CID 66545334
cyclohexa-2,4-diene-1,1-diamine;methanamine
CID 174570033
(1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene
CID 98624826
hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium
CID 155672201
chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane
CID 174990856
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium?
The IUPAC name of (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium (CID 141138802) is (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium.
What is the SMILES notation for (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium?
The canonical SMILES for (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium is CC1([NH2+][O-])C=CC=CC1.
What is the InChIKey of (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium?
The InChIKey is XYGTVAZHYVVIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(8-9)5-3-2-4-6-7/h2-5H,6,8H2,1H3.
What are the key properties of (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium?
(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium has a molecular weight of 125.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium is sourced from PubChem (CID 141138802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).