N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine

C12H16N2 — CID 166943409

IUPACN-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine
SMILESC=C/C(C)=N/C(=C)C1=NC(C)=CCC1
InChIInChI=1S/C12H16N2/c1-5-9(2)13-11(4)12-8-6-7-10(3)14-12/h5,7H,1,4,6,8H2,2-3H3/b13-9+
InChIKeyPOZQANYVRXDOMZ-UKTHLTGXSA-N
MW188.27 g/mol
LogP3.29
Rot. Bonds3

About N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine

N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine (PubChem CID 166943409) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine.

Molecular Properties

Compound NameN-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine
PubChem CID166943409
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine
SMILESC=C/C(C)=N/C(=C)C1=NC(C)=CCC1
InChIInChI=1S/C12H16N2/c1-5-9(2)13-11(4)12-8-6-7-10(3)14-12/h5,7H,1,4,6,8H2,2-3H3/b13-9+
InChIKeyPOZQANYVRXDOMZ-UKTHLTGXSA-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 N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine?
The IUPAC name of N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine (CID 166943409) is N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine.
What is the SMILES notation for N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine?
The canonical SMILES for N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine is C=C/C(C)=N/C(=C)C1=NC(C)=CCC1.
What is the InChIKey of N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine?
The InChIKey is POZQANYVRXDOMZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-9(2)13-11(4)12-8-6-7-10(3)14-12/h5,7H,1,4,6,8H2,2-3H3/b13-9+.
What are the key properties of N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine?
N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-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 N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine is sourced from PubChem (CID 166943409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).