N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine

C8H11IN2 — CID 89038546

IUPACN-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine
SMILESC/C=C/C1C=CC(NI)=NC1
InChIInChI=1S/C8H11IN2/c1-2-3-7-4-5-8(11-9)10-6-7/h2-5,7H,6H2,1H3,(H,10,11)/b3-2+
InChIKeyYHKAEUKHZNVATQ-NSCUHMNNSA-N
MW262.09 g/mol
LogP2.09
Rot. Bonds1

About N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine

N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine (PubChem CID 89038546) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine
PubChem CID89038546
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC NameN-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine
SMILESC/C=C/C1C=CC(NI)=NC1
InChIInChI=1S/C8H11IN2/c1-2-3-7-4-5-8(11-9)10-6-7/h2-5,7H,6H2,1H3,(H,10,11)/b3-2+
InChIKeyYHKAEUKHZNVATQ-NSCUHMNNSA-N
XLogP2.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine 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-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine?
The IUPAC name of N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine (CID 89038546) is N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine.
What is the SMILES notation for N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine?
The canonical SMILES for N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine is C/C=C/C1C=CC(NI)=NC1.
What is the InChIKey of N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine?
The InChIKey is YHKAEUKHZNVATQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11IN2/c1-2-3-7-4-5-8(11-9)10-6-7/h2-5,7H,6H2,1H3,(H,10,11)/b3-2+.
What are the key properties of N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine?
N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine has a molecular weight of 262.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-3-[(E)-prop-1-enyl]-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 89038546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).