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

C8H13N — CID 59752208

IUPAC5-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=CCCN=C1
InChIInChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h4,6-7H,3,5H2,1-2H3
InChIKeyJSEPBUHWVWNNQX-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds1

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

5-propan-2-yl-2,3-dihydropyridine (PubChem CID 59752208) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-propan-2-yl-2,3-dihydropyridine
PubChem CID59752208
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=CCCN=C1
InChIInChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h4,6-7H,3,5H2,1-2H3
InChIKeyJSEPBUHWVWNNQX-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

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
3-fluoro-2,2,5-trimethyl-3H-pyridine
CID 123896833
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
3-Methyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 138629227
5-Fluoro-3-methyl-2,3-dihydropyridine
CID 143818517
(Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine
CID 163758951
3-fluoro-6-propan-2-yl-4H-azepine
CID 167012471
5-Ethyl-2-fluoro-2,3-dihydropyridine
CID 169872706
(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
CID 171493683

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 5-propan-2-yl-2,3-dihydropyridine (CID 59752208) is 5-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 5-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 5-propan-2-yl-2,3-dihydropyridine is CC(C)C1=CCCN=C1.
What is the InChIKey of 5-propan-2-yl-2,3-dihydropyridine?
The InChIKey is JSEPBUHWVWNNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3-dihydropyridine?
5-propan-2-yl-2,3-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 5-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 59752208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).