2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine

C11H12N2 — CID 142523864

IUPAC2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine
SMILES[H]/N=C(\C=C)C(=C)c1cccnc1C
InChIInChI=1S/C11H12N2/c1-4-11(12)8(2)10-6-5-7-13-9(10)3/h4-7,12H,1-2H2,3H3/b12-11+
InChIKeyYHZGLJZNUHOPLL-VAWYXSNFSA-N
MW172.23 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine

2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine (PubChem CID 142523864) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine.

Molecular Properties

Compound Name2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine
PubChem CID142523864
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine
SMILES[H]/N=C(\C=C)C(=C)c1cccnc1C
InChIInChI=1S/C11H12N2/c1-4-11(12)8(2)10-6-5-7-13-9(10)3/h4-7,12H,1-2H2,3H3/b12-11+
InChIKeyYHZGLJZNUHOPLL-VAWYXSNFSA-N
XLogP2.61
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-3-pyridinyl)butan-1-imine
CID 167446890
N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine
CID 123848006
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
(Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine
CID 167055590
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
buta-1,3-diene;2,3-dimethylpyridine;ethane
CID 145249818
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
methyl 2-methylpyridine-3-carboxylate
CID 7015327
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
O-methyl 2-methylpyridine-3-carbothioate
CID 54538042
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine?
The IUPAC name of 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine (CID 142523864) is 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine.
What is the SMILES notation for 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine?
The canonical SMILES for 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine is [H]/N=C(\C=C)C(=C)c1cccnc1C.
What is the InChIKey of 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine?
The InChIKey is YHZGLJZNUHOPLL-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H12N2/c1-4-11(12)8(2)10-6-5-7-13-9(10)3/h4-7,12H,1-2H2,3H3/b12-11+.
What are the key properties of 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine?
2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine has a molecular weight of 172.23 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine is sourced from PubChem (CID 142523864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).