(2R)-2,5,6-trimethyl-2,3-dihydropyridine

C8H13N — CID 89321975

IUPAC(2R)-2,5,6-trimethyl-2,3-dihydropyridine
SMILESCC1=CC[C@@H](C)N=C1C
InChIInChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h4,7H,5H2,1-3H3/t7-/m1/s1
InChIKeyMDUNJUFZXOUYBG-SSDOTTSWSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About (2R)-2,5,6-trimethyl-2,3-dihydropyridine

(2R)-2,5,6-trimethyl-2,3-dihydropyridine (PubChem CID 89321975) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2R)-2,5,6-trimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2R)-2,5,6-trimethyl-2,3-dihydropyridine
PubChem CID89321975
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2R)-2,5,6-trimethyl-2,3-dihydropyridine
SMILESCC1=CC[C@@H](C)N=C1C
InChIInChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h4,7H,5H2,1-3H3/t7-/m1/s1
InChIKeyMDUNJUFZXOUYBG-SSDOTTSWSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,5,6-trimethyl-2,3-dihydropyridine?
The IUPAC name of (2R)-2,5,6-trimethyl-2,3-dihydropyridine (CID 89321975) is (2R)-2,5,6-trimethyl-2,3-dihydropyridine.
What is the SMILES notation for (2R)-2,5,6-trimethyl-2,3-dihydropyridine?
The canonical SMILES for (2R)-2,5,6-trimethyl-2,3-dihydropyridine is CC1=CC[C@@H](C)N=C1C.
What is the InChIKey of (2R)-2,5,6-trimethyl-2,3-dihydropyridine?
The InChIKey is MDUNJUFZXOUYBG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h4,7H,5H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2,5,6-trimethyl-2,3-dihydropyridine?
(2R)-2,5,6-trimethyl-2,3-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5,6-trimethyl-2,3-dihydropyridine is sourced from PubChem (CID 89321975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).