2-propan-2-yl-2,5-dihydropyridine

C8H13N — CID 57314007

IUPAC2-propan-2-yl-2,5-dihydropyridine
SMILESCC(C)C1C=CCC=N1
InChIInChI=1S/C8H13N/c1-7(2)8-5-3-4-6-9-8/h3,5-8H,4H2,1-2H3
InChIKeyHROCJPUNQFEKNF-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds1

About 2-propan-2-yl-2,5-dihydropyridine

2-propan-2-yl-2,5-dihydropyridine (PubChem CID 57314007) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-propan-2-yl-2,5-dihydropyridine.

Molecular Properties

Compound Name2-propan-2-yl-2,5-dihydropyridine
PubChem CID57314007
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-propan-2-yl-2,5-dihydropyridine
SMILESCC(C)C1C=CCC=N1
InChIInChI=1S/C8H13N/c1-7(2)8-5-3-4-6-9-8/h3,5-8H,4H2,1-2H3
InChIKeyHROCJPUNQFEKNF-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,5-dihydropyridine?
The IUPAC name of 2-propan-2-yl-2,5-dihydropyridine (CID 57314007) is 2-propan-2-yl-2,5-dihydropyridine.
What is the SMILES notation for 2-propan-2-yl-2,5-dihydropyridine?
The canonical SMILES for 2-propan-2-yl-2,5-dihydropyridine is CC(C)C1C=CCC=N1.
What is the InChIKey of 2-propan-2-yl-2,5-dihydropyridine?
The InChIKey is HROCJPUNQFEKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8-5-3-4-6-9-8/h3,5-8H,4H2,1-2H3.
What are the key properties of 2-propan-2-yl-2,5-dihydropyridine?
2-propan-2-yl-2,5-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,5-dihydropyridine is sourced from PubChem (CID 57314007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).