2,4-dimethyl-3,4-dihydropyridine

C7H11N — CID 89340730

IUPAC2,4-dimethyl-3,4-dihydropyridine
SMILESCC1=NC=CC(C)C1
InChIInChI=1S/C7H11N/c1-6-3-4-8-7(2)5-6/h3-4,6H,5H2,1-2H3
InChIKeySMGZEMZVKBBGFK-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.00
Rot. Bonds

About 2,4-dimethyl-3,4-dihydropyridine

2,4-dimethyl-3,4-dihydropyridine (PubChem CID 89340730) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,4-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2,4-dimethyl-3,4-dihydropyridine
PubChem CID89340730
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,4-dimethyl-3,4-dihydropyridine
SMILESCC1=NC=CC(C)C1
InChIInChI=1S/C7H11N/c1-6-3-4-8-7(2)5-6/h3-4,6H,5H2,1-2H3
InChIKeySMGZEMZVKBBGFK-UHFFFAOYSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,4-dihydropyridine?
The IUPAC name of 2,4-dimethyl-3,4-dihydropyridine (CID 89340730) is 2,4-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 2,4-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 2,4-dimethyl-3,4-dihydropyridine is CC1=NC=CC(C)C1.
What is the InChIKey of 2,4-dimethyl-3,4-dihydropyridine?
The InChIKey is SMGZEMZVKBBGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-4-8-7(2)5-6/h3-4,6H,5H2,1-2H3.
What are the key properties of 2,4-dimethyl-3,4-dihydropyridine?
2,4-dimethyl-3,4-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 89340730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).