2,5-dimethyl-2,5-dihydropyridine

C7H11N — CID 123416148

IUPAC2,5-dimethyl-2,5-dihydropyridine
SMILESCC1C=CC(C)N=C1
InChIInChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h3-7H,1-2H3
InChIKeyJNKOMHWHNPYUPX-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.65
Rot. Bonds

About 2,5-dimethyl-2,5-dihydropyridine

2,5-dimethyl-2,5-dihydropyridine (PubChem CID 123416148) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2,5-dimethyl-2,5-dihydropyridine
PubChem CID123416148
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,5-dimethyl-2,5-dihydropyridine
SMILESCC1C=CC(C)N=C1
InChIInChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h3-7H,1-2H3
InChIKeyJNKOMHWHNPYUPX-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2,3-dihydropyridine
CID 21652564
5-Methyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90934958
2-Azabicyclo[2.2.0]hexa-2,5-diene
CID 71375521
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
2,3-Dimethyl-2,3-dihydropyridine
CID 19937065
3-Methyl-2,3-dihydropyridine
CID 21471736
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
4-Methyl-2,5-dihydropyridine
CID 56986892
4-Methyl-2,5-dihydropyridin-2-ylium
CID 57104481
5-Methyl-2,5-dihydropyridine
CID 57146774
3-Methyl-2,5-dihydropyridine
CID 57230847
3-Ethyl-2,5-dihydropyridine
CID 57245959

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-dihydropyridine?
The IUPAC name of 2,5-dimethyl-2,5-dihydropyridine (CID 123416148) is 2,5-dimethyl-2,5-dihydropyridine.
What is the SMILES notation for 2,5-dimethyl-2,5-dihydropyridine?
The canonical SMILES for 2,5-dimethyl-2,5-dihydropyridine is CC1C=CC(C)N=C1.
What is the InChIKey of 2,5-dimethyl-2,5-dihydropyridine?
The InChIKey is JNKOMHWHNPYUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h3-7H,1-2H3.
What are the key properties of 2,5-dimethyl-2,5-dihydropyridine?
2,5-dimethyl-2,5-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-dihydropyridine is sourced from PubChem (CID 123416148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).