[(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium

C11H15FNO+ — CID 171501396

IUPAC[(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium
SMILESCO[NH2+]/C=C\C=C1\C=C(F)C(C)=CC1
InChIInChI=1S/C11H14FNO/c1-9-5-6-10(8-11(9)12)4-3-7-13-14-2/h3-5,7-8,13H,6H2,1-2H3/p+1/b7-3-,10-4+
InChIKeyKRULOAJWWCUUPV-UECXBSACSA-O
MW196.24 g/mol
LogP1.75
Rot. Bonds3

About [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium

[(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium (PubChem CID 171501396) has the molecular formula C11H15FNO+ and a molecular weight of 196.24 g/mol. Its IUPAC name is [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium.

Molecular Properties

Compound Name[(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium
PubChem CID171501396
Molecular FormulaC11H15FNO+
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name[(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium
SMILESCO[NH2+]/C=C\C=C1\C=C(F)C(C)=CC1
InChIInChI=1S/C11H14FNO/c1-9-5-6-10(8-11(9)12)4-3-7-13-14-2/h3-5,7-8,13H,6H2,1-2H3/p+1/b7-3-,10-4+
InChIKeyKRULOAJWWCUUPV-UECXBSACSA-O
XLogP1.75
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium?
The IUPAC name of [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium (CID 171501396) is [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium.
What is the SMILES notation for [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium?
The canonical SMILES for [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium is CO[NH2+]/C=C\C=C1\C=C(F)C(C)=CC1.
What is the InChIKey of [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium?
The InChIKey is KRULOAJWWCUUPV-UECXBSACSA-O. The full InChI is InChI=1S/C11H14FNO/c1-9-5-6-10(8-11(9)12)4-3-7-13-14-2/h3-5,7-8,13H,6H2,1-2H3/p+1/b7-3-,10-4+.
What are the key properties of [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium?
[(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium has a molecular weight of 196.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3E)-3-(3-fluoro-4-methylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-methoxyazanium is sourced from PubChem (CID 171501396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).