1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine

C8H12N2 — CID 90136917

IUPAC1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine
SMILES[H]/N=C1\C=CCCN1/C=C\C
InChIInChI=1S/C8H12N2/c1-2-6-10-7-4-3-5-8(10)9/h2-3,5-6,9H,4,7H2,1H3/b6-2-,9-8+
InChIKeyVXVHPOXDYKQBCR-OEJTVPJWSA-N
MW136.20 g/mol
LogP1.76
Rot. Bonds1

About 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine

1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine (PubChem CID 90136917) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine
PubChem CID90136917
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine
SMILES[H]/N=C1\C=CCCN1/C=C\C
InChIInChI=1S/C8H12N2/c1-2-6-10-7-4-3-5-8(10)9/h2-3,5-6,9H,4,7H2,1H3/b6-2-,9-8+
InChIKeyVXVHPOXDYKQBCR-OEJTVPJWSA-N
XLogP1.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine 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 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine?
The IUPAC name of 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine (CID 90136917) is 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine?
The canonical SMILES for 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine is [H]/N=C1\C=CCCN1/C=C\C.
What is the InChIKey of 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine?
The InChIKey is VXVHPOXDYKQBCR-OEJTVPJWSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-6-10-7-4-3-5-8(10)9/h2-3,5-6,9H,4,7H2,1H3/b6-2-,9-8+.
What are the key properties of 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine?
1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine has a molecular weight of 136.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine is sourced from PubChem (CID 90136917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).