N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine

C10H12N2 — CID 145263414

IUPACN-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C)C1=CC=NCC1
InChIInChI=1S/C10H12N2/c1-9(3-6-11-2)10-4-7-12-8-5-10/h3-4,6-7H,1-2,5,8H2/b6-3-
InChIKeyIBJVTCFAENUPEZ-UTCJRWHESA-N
MW160.22 g/mol
LogP2.16
Rot. Bonds3

About N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine

N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine (PubChem CID 145263414) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine
PubChem CID145263414
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C)C1=CC=NCC1
InChIInChI=1S/C10H12N2/c1-9(3-6-11-2)10-4-7-12-8-5-10/h3-4,6-7H,1-2,5,8H2/b6-3-
InChIKeyIBJVTCFAENUPEZ-UTCJRWHESA-N
XLogP2.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine (CID 145263414) is N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine is C=N/C=C\C(=C)C1=CC=NCC1.
What is the InChIKey of N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine?
The InChIKey is IBJVTCFAENUPEZ-UTCJRWHESA-N. The full InChI is InChI=1S/C10H12N2/c1-9(3-6-11-2)10-4-7-12-8-5-10/h3-4,6-7H,1-2,5,8H2/b6-3-.
What are the key properties of N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine?
N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine has a molecular weight of 160.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-(2,3-dihydropyridin-4-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 145263414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).