4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine

C12H17N — CID 89171173

IUPAC4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine
SMILESC=C/C(C)=C\CC1=CC(C)=CCN1
InChIInChI=1S/C12H17N/c1-4-10(2)5-6-12-9-11(3)7-8-13-12/h4-5,7,9,13H,1,6,8H2,2-3H3/b10-5-
InChIKeyLOCAOTWXRGHNDY-YHYXMXQVSA-N
MW175.27 g/mol
LogP2.94
Rot. Bonds3

About 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine

4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine (PubChem CID 89171173) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine
PubChem CID89171173
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine
SMILESC=C/C(C)=C\CC1=CC(C)=CCN1
InChIInChI=1S/C12H17N/c1-4-10(2)5-6-12-9-11(3)7-8-13-12/h4-5,7,9,13H,1,6,8H2,2-3H3/b10-5-
InChIKeyLOCAOTWXRGHNDY-YHYXMXQVSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine?
The IUPAC name of 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine (CID 89171173) is 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine.
What is the SMILES notation for 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine?
The canonical SMILES for 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine is C=C/C(C)=C\CC1=CC(C)=CCN1.
What is the InChIKey of 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine?
The InChIKey is LOCAOTWXRGHNDY-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10(2)5-6-12-9-11(3)7-8-13-12/h4-5,7,9,13H,1,6,8H2,2-3H3/b10-5-.
What are the key properties of 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine?
4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine has a molecular weight of 175.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2Z)-3-methylpenta-2,4-dienyl]-1,2-dihydropyridine is sourced from PubChem (CID 89171173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).