N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine

C10H10N2 — CID 143908274

IUPACN-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)c1cccnc1
InChIInChI=1S/C10H10N2/c1-3-9(7-11-2)10-5-4-6-12-8-10/h3-8H,1-2H2/b9-7+
InChIKeyNRKGBPKVLHZZKV-VQHVLOKHSA-N
MW158.20 g/mol
LogP2.31
Rot. Bonds3

About N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine

N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine (PubChem CID 143908274) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine
PubChem CID143908274
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC NameN-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)c1cccnc1
InChIInChI=1S/C10H10N2/c1-3-9(7-11-2)10-5-4-6-12-8-10/h3-8H,1-2H2/b9-7+
InChIKeyNRKGBPKVLHZZKV-VQHVLOKHSA-N
XLogP2.31
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.31
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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Related Compounds

ethane;N-[(1E)-2-(3-methyl-4-pyridinyl)buta-1,3-dienyl]methanimine
CID 167522154
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
CID 143793777
3-[(Z)-1-fluoro-2-iodoethenyl]pyridine
CID 163204264
N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine
CID 156852631
CID 172748531
CID 172748531
N,N-bis(ethenyl)-N'-(pyridine-3-carbonyl)carbamimidoyl bromide
CID 148611727
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine
CID 129174777
(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine
CID 142226114
(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine
CID 144911563

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine (CID 143908274) is N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine is C=C/C(=C\N=C)c1cccnc1.
What is the InChIKey of N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine?
The InChIKey is NRKGBPKVLHZZKV-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H10N2/c1-3-9(7-11-2)10-5-4-6-12-8-10/h3-8H,1-2H2/b9-7+.
What are the key properties of N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine?
N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine has a molecular weight of 158.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 143908274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).