3,4-dimethyl-3,4-dihydropyridine

C7H11N — CID 22965950

IUPAC3,4-dimethyl-3,4-dihydropyridine
SMILESCC1C=CN=CC1C
InChIInChI=1S/C7H11N/c1-6-3-4-8-5-7(6)2/h3-7H,1-2H3
InChIKeyNLCSWVUCLFYVKA-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.86
Rot. Bonds

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

3,4-dimethyl-3,4-dihydropyridine (PubChem CID 22965950) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3,4-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3,4-dimethyl-3,4-dihydropyridine
PubChem CID22965950
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3,4-dimethyl-3,4-dihydropyridine
SMILESCC1C=CN=CC1C
InChIInChI=1S/C7H11N/c1-6-3-4-8-5-7(6)2/h3-7H,1-2H3
InChIKeyNLCSWVUCLFYVKA-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,4-dihydropyridine?
The IUPAC name of 3,4-dimethyl-3,4-dihydropyridine (CID 22965950) is 3,4-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 3,4-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 3,4-dimethyl-3,4-dihydropyridine is CC1C=CN=CC1C.
What is the InChIKey of 3,4-dimethyl-3,4-dihydropyridine?
The InChIKey is NLCSWVUCLFYVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-4-8-5-7(6)2/h3-7H,1-2H3.
What are the key properties of 3,4-dimethyl-3,4-dihydropyridine?
3,4-dimethyl-3,4-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 22965950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).