6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine

C12H17N — CID 123172598

IUPAC6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine
SMILESC=CC(=C)CCC1C=C(C)N=CC1
InChIInChI=1S/C12H17N/c1-4-10(2)5-6-12-7-8-13-11(3)9-12/h4,8-9,12H,1-2,5-7H2,3H3
InChIKeyOFOSXQMFOSWLNZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.50
Rot. Bonds4

About 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine

6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine (PubChem CID 123172598) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine
PubChem CID123172598
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine
SMILESC=CC(=C)CCC1C=C(C)N=CC1
InChIInChI=1S/C12H17N/c1-4-10(2)5-6-12-7-8-13-11(3)9-12/h4,8-9,12H,1-2,5-7H2,3H3
InChIKeyOFOSXQMFOSWLNZ-UHFFFAOYSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
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 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine?
The IUPAC name of 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine (CID 123172598) is 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine?
The canonical SMILES for 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine is C=CC(=C)CCC1C=C(C)N=CC1.
What is the InChIKey of 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine?
The InChIKey is OFOSXQMFOSWLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10(2)5-6-12-7-8-13-11(3)9-12/h4,8-9,12H,1-2,5-7H2,3H3.
What are the key properties of 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine?
6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine has a molecular weight of 175.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine is sourced from PubChem (CID 123172598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).