[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine

C10H14N2 — CID 145111050

IUPAC[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine
SMILES[H]/N=C/N1CCC(C=C)=C(C=C)C1
InChIInChI=1S/C10H14N2/c1-3-9-5-6-12(8-11)7-10(9)4-2/h3-4,8,11H,1-2,5-7H2/b11-8+
InChIKeyUQWIZVCCMHXSMG-DHZHZOJOSA-N
MW162.24 g/mol
LogP1.97
Rot. Bonds3

About [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine

[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine (PubChem CID 145111050) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine.

Molecular Properties

Compound Name[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine
PubChem CID145111050
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine
SMILES[H]/N=C/N1CCC(C=C)=C(C=C)C1
InChIInChI=1S/C10H14N2/c1-3-9-5-6-12(8-11)7-10(9)4-2/h3-4,8,11H,1-2,5-7H2/b11-8+
InChIKeyUQWIZVCCMHXSMG-DHZHZOJOSA-N
XLogP1.97
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
CID 69078729
(5-Methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine
CID 123735616
4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 145110941
[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine
CID 145111049
1,3,4,5-Tetrahydroisoindole-2-carboximidamide
CID 145111194

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine?
The IUPAC name of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine (CID 145111050) is [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine.
What is the SMILES notation for [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine?
The canonical SMILES for [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine is [H]/N=C/N1CCC(C=C)=C(C=C)C1.
What is the InChIKey of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine?
The InChIKey is UQWIZVCCMHXSMG-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-9-5-6-12(8-11)7-10(9)4-2/h3-4,8,11H,1-2,5-7H2/b11-8+.
What are the key properties of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine?
[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine has a molecular weight of 162.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine is sourced from PubChem (CID 145111050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).