N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine

C11H12N2 — CID 144518543

IUPACN-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine
SMILESC=C/N=C/C(=C)c1ccc(C)cn1
InChIInChI=1S/C11H12N2/c1-4-12-8-10(3)11-6-5-9(2)7-13-11/h4-8H,1,3H2,2H3/b12-8+
InChIKeyLKMOEUAUEUUORX-XYOKQWHBSA-N
MW172.23 g/mol
LogP2.62
Rot. Bonds3

About N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine

N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine (PubChem CID 144518543) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine
PubChem CID144518543
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC NameN-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine
SMILESC=C/N=C/C(=C)c1ccc(C)cn1
InChIInChI=1S/C11H12N2/c1-4-12-8-10(3)11-6-5-9(2)7-13-11/h4-8H,1,3H2,2H3/b12-8+
InChIKeyLKMOEUAUEUUORX-XYOKQWHBSA-N
XLogP2.62
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine
CID 142353727
2-(3-ethoxybuta-1,3-dien-2-yl)-5-methylpyridine
CID 166966032
N-methyl-1-(5-methyl-2-pyridinyl)ethanimine
CID 123351090
(Z)-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 174335026
2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 177235271
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 143178055
N'-amino-5-methylpyridine-2-carboximidamide
CID 81312548
ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine
CID 144956619
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
sodium 5-methylpyridine-2-carboxylate
CID 23707755
(Z)-3-imino-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 166120557
ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide
CID 171564528

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine?
The IUPAC name of N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine (CID 144518543) is N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine?
The canonical SMILES for N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine is C=C/N=C/C(=C)c1ccc(C)cn1.
What is the InChIKey of N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine?
The InChIKey is LKMOEUAUEUUORX-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H12N2/c1-4-12-8-10(3)11-6-5-9(2)7-13-11/h4-8H,1,3H2,2H3/b12-8+.
What are the key properties of N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine?
N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine has a molecular weight of 172.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine is sourced from PubChem (CID 144518543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).