5-propan-2-yl-3,4-dihydropyridine

C8H13N — CID 14979266

IUPAC5-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=CN=CCC1
InChIInChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h5-7H,3-4H2,1-2H3
InChIKeySXWUKOGULHNRBS-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds1

About 5-propan-2-yl-3,4-dihydropyridine

5-propan-2-yl-3,4-dihydropyridine (PubChem CID 14979266) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-propan-2-yl-3,4-dihydropyridine
PubChem CID14979266
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=CN=CCC1
InChIInChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h5-7H,3-4H2,1-2H3
InChIKeySXWUKOGULHNRBS-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 5-propan-2-yl-3,4-dihydropyridine (CID 14979266) is 5-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 5-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 5-propan-2-yl-3,4-dihydropyridine is CC(C)C1=CN=CCC1.
What is the InChIKey of 5-propan-2-yl-3,4-dihydropyridine?
The InChIKey is SXWUKOGULHNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-3,4-dihydropyridine?
5-propan-2-yl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 14979266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).