5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine

C12H19N — CID 166683546

IUPAC5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
SMILESC=CC1=C(C=C(C)C)CCN(C)C1
InChIInChI=1S/C12H19N/c1-5-11-9-13(4)7-6-12(11)8-10(2)3/h5,8H,1,6-7,9H2,2-4H3
InChIKeyDXDGEPHBZVHZTA-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.77
Rot. Bonds2

About 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine

5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine (PubChem CID 166683546) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
PubChem CID166683546
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
SMILESC=CC1=C(C=C(C)C)CCN(C)C1
InChIInChI=1S/C12H19N/c1-5-11-9-13(4)7-6-12(11)8-10(2)3/h5,8H,1,6-7,9H2,2-4H3
InChIKeyDXDGEPHBZVHZTA-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine (CID 166683546) is 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine is C=CC1=C(C=C(C)C)CCN(C)C1.
What is the InChIKey of 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine?
The InChIKey is DXDGEPHBZVHZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-11-9-13(4)7-6-12(11)8-10(2)3/h5,8H,1,6-7,9H2,2-4H3.
What are the key properties of 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine?
5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine has a molecular weight of 177.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 166683546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).