4-methylidene-1,2-dihydropyridin-3-imine

C6H8N2 — CID 155474412

IUPAC4-methylidene-1,2-dihydropyridin-3-imine
SMILES[H]/N=C1\CNC=CC1=C
InChIInChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-3,7-8H,1,4H2/b7-6+
InChIKeyPVPVBHURWZYCIO-VOTSOKGWSA-N
MW108.14 g/mol
LogP0.68
Rot. Bonds

About 4-methylidene-1,2-dihydropyridin-3-imine

4-methylidene-1,2-dihydropyridin-3-imine (PubChem CID 155474412) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 4-methylidene-1,2-dihydropyridin-3-imine.

Molecular Properties

Compound Name4-methylidene-1,2-dihydropyridin-3-imine
PubChem CID155474412
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name4-methylidene-1,2-dihydropyridin-3-imine
SMILES[H]/N=C1\CNC=CC1=C
InChIInChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-3,7-8H,1,4H2/b7-6+
InChIKeyPVPVBHURWZYCIO-VOTSOKGWSA-N
XLogP0.68
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1,2-dihydropyridin-3-imine?
The IUPAC name of 4-methylidene-1,2-dihydropyridin-3-imine (CID 155474412) is 4-methylidene-1,2-dihydropyridin-3-imine.
What is the SMILES notation for 4-methylidene-1,2-dihydropyridin-3-imine?
The canonical SMILES for 4-methylidene-1,2-dihydropyridin-3-imine is [H]/N=C1\CNC=CC1=C.
What is the InChIKey of 4-methylidene-1,2-dihydropyridin-3-imine?
The InChIKey is PVPVBHURWZYCIO-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-3,7-8H,1,4H2/b7-6+.
What are the key properties of 4-methylidene-1,2-dihydropyridin-3-imine?
4-methylidene-1,2-dihydropyridin-3-imine has a molecular weight of 108.14 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,2-dihydropyridin-3-imine is sourced from PubChem (CID 155474412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).