methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium

C10H15N2+ — CID 123385926

IUPACmethyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium
SMILESC=C1N=CCC/C1=[N+](/C)C=CC
InChIInChI=1S/C10H15N2/c1-4-8-12(3)10-6-5-7-11-9(10)2/h4,7-8H,2,5-6H2,1,3H3/q+1/b8-4?,12-10+
InChIKeyGNUVJKTUOYOAIC-MJJPSXCHSA-N
MW163.24 g/mol
LogP1.98
Rot. Bonds1

About methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium

methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium (PubChem CID 123385926) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium.

Molecular Properties

Compound Namemethyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium
PubChem CID123385926
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Namemethyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium
SMILESC=C1N=CCC/C1=[N+](/C)C=CC
InChIInChI=1S/C10H15N2/c1-4-8-12(3)10-6-5-7-11-9(10)2/h4,7-8H,2,5-6H2,1,3H3/q+1/b8-4?,12-10+
InChIKeyGNUVJKTUOYOAIC-MJJPSXCHSA-N
XLogP1.98
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-butyl-2H-imidazo[4,5-c]pyridine
CID 57234190
N-butyl-4H-pyridin-3-imine
CID 67808449
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
CID 122545432
(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine
CID 134447867
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene
CID 143157754
(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine;ethane;ethene
CID 144163518
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane
CID 145148851
dimethyl(3H-pyridin-4-ylidene)azanium
CID 152779137
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine
CID 143157755
4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine
CID 143370914
3-methylidene-N-prop-1-en-2-ylpyridin-4-imine
CID 169217965

Frequently Asked Questions

What is the IUPAC name of methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium?
The IUPAC name of methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium (CID 123385926) is methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium.
What is the SMILES notation for methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium?
The canonical SMILES for methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium is C=C1N=CCC/C1=[N+](/C)C=CC.
What is the InChIKey of methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium?
The InChIKey is GNUVJKTUOYOAIC-MJJPSXCHSA-N. The full InChI is InChI=1S/C10H15N2/c1-4-8-12(3)10-6-5-7-11-9(10)2/h4,7-8H,2,5-6H2,1,3H3/q+1/b8-4?,12-10+.
What are the key properties of methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium?
methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium has a molecular weight of 163.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium is sourced from PubChem (CID 123385926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).