2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine

C12H16N2 — CID 145463029

IUPAC2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C1=NC=C(C)CC1
InChIInChI=1S/C12H16N2/c1-9(2)7-13-11(4)12-6-5-10(3)8-14-12/h7-8H,1,4-6H2,2-3H3/b13-7+
InChIKeyHMQVVOZMMHENLR-NTUHNPAUSA-N
MW188.27 g/mol
LogP3.29
Rot. Bonds3

About 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine

2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine (PubChem CID 145463029) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
PubChem CID145463029
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C1=NC=C(C)CC1
InChIInChI=1S/C12H16N2/c1-9(2)7-13-11(4)12-6-5-10(3)8-14-12/h7-8H,1,4-6H2,2-3H3/b13-7+
InChIKeyHMQVVOZMMHENLR-NTUHNPAUSA-N
XLogP3.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine (CID 145463029) is 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine is C=C(C)/C=N/C(=C)C1=NC=C(C)CC1.
What is the InChIKey of 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine?
The InChIKey is HMQVVOZMMHENLR-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)7-13-11(4)12-6-5-10(3)8-14-12/h7-8H,1,4-6H2,2-3H3/b13-7+.
What are the key properties of 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine?
2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine has a molecular weight of 188.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methyl-3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine is sourced from PubChem (CID 145463029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).