(3S)-3-ethyl-2-propyl-2,3-dihydropyridine

C10H17N — CID 130217134

IUPAC(3S)-3-ethyl-2-propyl-2,3-dihydropyridine
SMILESCCCC1N=CC=C[C@@H]1CC
InChIInChI=1S/C10H17N/c1-3-6-10-9(4-2)7-5-8-11-10/h5,7-10H,3-4,6H2,1-2H3/t9-,10?/m0/s1
InChIKeyVRNWSFXYVASEMP-RGURZIINSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds3

About (3S)-3-ethyl-2-propyl-2,3-dihydropyridine

(3S)-3-ethyl-2-propyl-2,3-dihydropyridine (PubChem CID 130217134) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3S)-3-ethyl-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(3S)-3-ethyl-2-propyl-2,3-dihydropyridine
PubChem CID130217134
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3S)-3-ethyl-2-propyl-2,3-dihydropyridine
SMILESCCCC1N=CC=C[C@@H]1CC
InChIInChI=1S/C10H17N/c1-3-6-10-9(4-2)7-5-8-11-10/h5,7-10H,3-4,6H2,1-2H3/t9-,10?/m0/s1
InChIKeyVRNWSFXYVASEMP-RGURZIINSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-2-propyl-2,3-dihydropyridine?
The IUPAC name of (3S)-3-ethyl-2-propyl-2,3-dihydropyridine (CID 130217134) is (3S)-3-ethyl-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for (3S)-3-ethyl-2-propyl-2,3-dihydropyridine?
The canonical SMILES for (3S)-3-ethyl-2-propyl-2,3-dihydropyridine is CCCC1N=CC=C[C@@H]1CC.
What is the InChIKey of (3S)-3-ethyl-2-propyl-2,3-dihydropyridine?
The InChIKey is VRNWSFXYVASEMP-RGURZIINSA-N. The full InChI is InChI=1S/C10H17N/c1-3-6-10-9(4-2)7-5-8-11-10/h5,7-10H,3-4,6H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (3S)-3-ethyl-2-propyl-2,3-dihydropyridine?
(3S)-3-ethyl-2-propyl-2,3-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 130217134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).