(4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

C10H11N3 — CID 7095292

IUPAC(4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)[C@@H](C)C1C#N
InChIInChI=1S/C10H11N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h6,9H,1-3H3/t6-,9?/m0/s1
InChIKeyWFHBRJCPDWHKGE-AADKRJSRSA-N
MW173.22 g/mol
LogP2.03
Rot. Bonds

About (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

(4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 7095292) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name(4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID7095292
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)[C@@H](C)C1C#N
InChIInChI=1S/C10H11N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h6,9H,1-3H3/t6-,9?/m0/s1
InChIKeyWFHBRJCPDWHKGE-AADKRJSRSA-N
XLogP2.03
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (CID 7095292) is (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is CC1=NC(C)=C(C#N)[C@@H](C)C1C#N.
What is the InChIKey of (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is WFHBRJCPDWHKGE-AADKRJSRSA-N. The full InChI is InChI=1S/C10H11N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h6,9H,1-3H3/t6-,9?/m0/s1.
What are the key properties of (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
(4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 173.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 7095292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).