1-prop-2-enyl-3,4-dihydropyridin-2-imine

C8H12N2 — CID 70629599

IUPAC1-prop-2-enyl-3,4-dihydropyridin-2-imine
SMILES[H]/N=C1\CCC=CN1CC=C
InChIInChI=1S/C8H12N2/c1-2-6-10-7-4-3-5-8(10)9/h2,4,7,9H,1,3,5-6H2/b9-8+
InChIKeyYLYKNHDZMJKXJN-CMDGGOBGSA-N
MW136.20 g/mol
LogP1.76
Rot. Bonds2

About 1-prop-2-enyl-3,4-dihydropyridin-2-imine

1-prop-2-enyl-3,4-dihydropyridin-2-imine (PubChem CID 70629599) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-prop-2-enyl-3,4-dihydropyridin-2-imine.

Molecular Properties

Compound Name1-prop-2-enyl-3,4-dihydropyridin-2-imine
PubChem CID70629599
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-prop-2-enyl-3,4-dihydropyridin-2-imine
SMILES[H]/N=C1\CCC=CN1CC=C
InChIInChI=1S/C8H12N2/c1-2-6-10-7-4-3-5-8(10)9/h2,4,7,9H,1,3,5-6H2/b9-8+
InChIKeyYLYKNHDZMJKXJN-CMDGGOBGSA-N
XLogP1.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3,4-dihydropyridin-2-imine?
The IUPAC name of 1-prop-2-enyl-3,4-dihydropyridin-2-imine (CID 70629599) is 1-prop-2-enyl-3,4-dihydropyridin-2-imine.
What is the SMILES notation for 1-prop-2-enyl-3,4-dihydropyridin-2-imine?
The canonical SMILES for 1-prop-2-enyl-3,4-dihydropyridin-2-imine is [H]/N=C1\CCC=CN1CC=C.
What is the InChIKey of 1-prop-2-enyl-3,4-dihydropyridin-2-imine?
The InChIKey is YLYKNHDZMJKXJN-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-6-10-7-4-3-5-8(10)9/h2,4,7,9H,1,3,5-6H2/b9-8+.
What are the key properties of 1-prop-2-enyl-3,4-dihydropyridin-2-imine?
1-prop-2-enyl-3,4-dihydropyridin-2-imine has a molecular weight of 136.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3,4-dihydropyridin-2-imine is sourced from PubChem (CID 70629599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).