6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine

C15H15N — CID 157399359

IUPAC6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC#Cc1ccc(C2=CCC(C)C(=C)N2)cc1
InChIInChI=1S/C15H15N/c1-4-13-6-8-14(9-7-13)15-10-5-11(2)12(3)16-15/h1,6-11,16H,3,5H2,2H3
InChIKeyBTNDQOCRODLTOU-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.15
Rot. Bonds1

About 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine

6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine (PubChem CID 157399359) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine
PubChem CID157399359
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC#Cc1ccc(C2=CCC(C)C(=C)N2)cc1
InChIInChI=1S/C15H15N/c1-4-13-6-8-14(9-7-13)15-10-5-11(2)12(3)16-15/h1,6-11,16H,3,5H2,2H3
InChIKeyBTNDQOCRODLTOU-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 46219
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CID 129783027
2-Pyrroline, 2-(p-tolyl)-
CID 101354597
Benzenemethanamine, N-(1,1-dimethyl-2-propynyl)-
CID 11819500
(4-Methylbenzyl)2-propyn-1-ylamine
CID 4724074
(3E,7Z)-4-N-[(E)-but-2-en-2-yl]-8-N-[1-(2-fluoro-4-methylphenyl)ethenyl]-5-methylundeca-3,7-dien-1-yne-4,8-diamine
CID 123198581
N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine
CID 142074645
N-[(3-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine
CID 143663094
5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine
CID 146397212
(Z)-3-fluoro-N-[1-(4-fluorophenyl)ethenyl]but-2-en-2-amine
CID 154961830
N-[1-[4-(difluoromethyl)phenyl]ethenyl]prop-2-yn-1-amine
CID 156184683

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
The IUPAC name of 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine (CID 157399359) is 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
The canonical SMILES for 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine is C#Cc1ccc(C2=CCC(C)C(=C)N2)cc1.
What is the InChIKey of 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
The InChIKey is BTNDQOCRODLTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-4-13-6-8-14(9-7-13)15-10-5-11(2)12(3)16-15/h1,6-11,16H,3,5H2,2H3.
What are the key properties of 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine has a molecular weight of 209.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 157399359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).