N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine

C11H12FN — CID 135128525

IUPACN-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
SMILESC=NC1=CC=C(F)CC=C1/C=C\C
InChIInChI=1S/C11H12FN/c1-3-4-9-5-6-10(12)7-8-11(9)13-2/h3-5,7-8H,2,6H2,1H3/b4-3-
InChIKeyUQBHJKPDHYTHAW-ARJAWSKDSA-N
MW177.22 g/mol
LogP3.33
Rot. Bonds2

About N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine

N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine (PubChem CID 135128525) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine.

Molecular Properties

Compound NameN-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
PubChem CID135128525
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC NameN-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
SMILESC=NC1=CC=C(F)CC=C1/C=C\C
InChIInChI=1S/C11H12FN/c1-3-4-9-5-6-10(12)7-8-11(9)13-2/h3-5,7-8H,2,6H2,1H3/b4-3-
InChIKeyUQBHJKPDHYTHAW-ARJAWSKDSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine 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 N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine?
The IUPAC name of N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine (CID 135128525) is N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine.
What is the SMILES notation for N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine?
The canonical SMILES for N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine is C=NC1=CC=C(F)CC=C1/C=C\C.
What is the InChIKey of N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine?
The InChIKey is UQBHJKPDHYTHAW-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H12FN/c1-3-4-9-5-6-10(12)7-8-11(9)13-2/h3-5,7-8H,2,6H2,1H3/b4-3-.
What are the key properties of N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine?
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine has a molecular weight of 177.22 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine is sourced from PubChem (CID 135128525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).