(4S)-4-ethyl-3,4-dihydropyridine

C7H11N — CID 89029410

IUPAC(4S)-4-ethyl-3,4-dihydropyridine
SMILESCC[C@@H]1C=CN=CC1
InChIInChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h3,5-7H,2,4H2,1H3/t7-/m1/s1
InChIKeyPYRXSQTXNGYGDI-SSDOTTSWSA-N
MW109.17 g/mol
LogP2.00
Rot. Bonds1

About (4S)-4-ethyl-3,4-dihydropyridine

(4S)-4-ethyl-3,4-dihydropyridine (PubChem CID 89029410) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (4S)-4-ethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name(4S)-4-ethyl-3,4-dihydropyridine
PubChem CID89029410
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(4S)-4-ethyl-3,4-dihydropyridine
SMILESCC[C@@H]1C=CN=CC1
InChIInChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h3,5-7H,2,4H2,1H3/t7-/m1/s1
InChIKeyPYRXSQTXNGYGDI-SSDOTTSWSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3,4-dihydropyridine?
The IUPAC name of (4S)-4-ethyl-3,4-dihydropyridine (CID 89029410) is (4S)-4-ethyl-3,4-dihydropyridine.
What is the SMILES notation for (4S)-4-ethyl-3,4-dihydropyridine?
The canonical SMILES for (4S)-4-ethyl-3,4-dihydropyridine is CC[C@@H]1C=CN=CC1.
What is the InChIKey of (4S)-4-ethyl-3,4-dihydropyridine?
The InChIKey is PYRXSQTXNGYGDI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h3,5-7H,2,4H2,1H3/t7-/m1/s1.
What are the key properties of (4S)-4-ethyl-3,4-dihydropyridine?
(4S)-4-ethyl-3,4-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3,4-dihydropyridine is sourced from PubChem (CID 89029410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).