5-Ethyl-2,3-dihydropyridine

C7H11N — CID 68387499

IUPAC5-ethyl-2,3-dihydropyridine
SMILESCCC1=CCCN=C1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h4,6H,2-3,5H2,1H3
InChIKeyWUMKXGDAIKMRPK-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.00
Rot. Bonds1

About 5-Ethyl-2,3-dihydropyridine

5-Ethyl-2,3-dihydropyridine (PubChem CID 68387499) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-ethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-Ethyl-2,3-dihydropyridine
PubChem CID68387499
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-ethyl-2,3-dihydropyridine
SMILESCCC1=CCCN=C1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h4,6H,2-3,5H2,1H3
InChIKeyWUMKXGDAIKMRPK-UHFFFAOYSA-N
XLogP1.00
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity122

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.00
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
3,3-Dimethylpyridine
CID 129722078
4-(2-fluoroethyl)-3H-pyridin-1-ium
CID 57261287
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
6-Fluoro-5-methyl-2,3-dihydropyridine
CID 123899309
3-Methyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 138629227
3-Fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 141929354
5-Fluoro-3-methyl-2,3-dihydropyridine
CID 143818517
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
CID 155454769

Frequently Asked Questions

What is the IUPAC name of 5-Ethyl-2,3-dihydropyridine?
The IUPAC name of 5-Ethyl-2,3-dihydropyridine (CID 68387499) is 5-ethyl-2,3-dihydropyridine.
What is the SMILES notation for 5-Ethyl-2,3-dihydropyridine?
The canonical SMILES for 5-Ethyl-2,3-dihydropyridine is CCC1=CCCN=C1.
What is the InChIKey of 5-Ethyl-2,3-dihydropyridine?
The InChIKey is WUMKXGDAIKMRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-Ethyl-2,3-dihydropyridine?
5-Ethyl-2,3-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Ethyl-2,3-dihydropyridine is sourced from PubChem (CID 68387499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).