(3S)-3,6-dimethyl-3,4-dihydropyridine

C7H11N — CID 70325789

IUPAC(3S)-3,6-dimethyl-3,4-dihydropyridine
SMILESCC1=CC[C@H](C)C=N1
InChIInChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyLVKRNLGURRORSU-LURJTMIESA-N
MW109.17 g/mol
LogP2.00
Rot. Bonds

About (3S)-3,6-dimethyl-3,4-dihydropyridine

(3S)-3,6-dimethyl-3,4-dihydropyridine (PubChem CID 70325789) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (3S)-3,6-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name(3S)-3,6-dimethyl-3,4-dihydropyridine
PubChem CID70325789
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(3S)-3,6-dimethyl-3,4-dihydropyridine
SMILESCC1=CC[C@H](C)C=N1
InChIInChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyLVKRNLGURRORSU-LURJTMIESA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 (3S)-3,6-dimethyl-3,4-dihydropyridine?
The IUPAC name of (3S)-3,6-dimethyl-3,4-dihydropyridine (CID 70325789) is (3S)-3,6-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for (3S)-3,6-dimethyl-3,4-dihydropyridine?
The canonical SMILES for (3S)-3,6-dimethyl-3,4-dihydropyridine is CC1=CC[C@H](C)C=N1.
What is the InChIKey of (3S)-3,6-dimethyl-3,4-dihydropyridine?
The InChIKey is LVKRNLGURRORSU-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3,6-dimethyl-3,4-dihydropyridine?
(3S)-3,6-dimethyl-3,4-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,6-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 70325789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).