2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine

C13H17N — CID 164529247

IUPAC2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine
SMILESCC1=CC(C)=C(C2=NC=CCC2)CC1
InChIInChI=1S/C13H17N/c1-10-6-7-12(11(2)9-10)13-5-3-4-8-14-13/h4,8-9H,3,5-7H2,1-2H3
InChIKeyMFAMIAJEGUEFBB-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.79
Rot. Bonds1

About 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine

2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine (PubChem CID 164529247) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine
PubChem CID164529247
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine
SMILESCC1=CC(C)=C(C2=NC=CCC2)CC1
InChIInChI=1S/C13H17N/c1-10-6-7-12(11(2)9-10)13-5-3-4-8-14-13/h4,8-9H,3,5-7H2,1-2H3
InChIKeyMFAMIAJEGUEFBB-UHFFFAOYSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine?
The IUPAC name of 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine (CID 164529247) is 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine?
The canonical SMILES for 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine is CC1=CC(C)=C(C2=NC=CCC2)CC1.
What is the InChIKey of 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine?
The InChIKey is MFAMIAJEGUEFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-6-7-12(11(2)9-10)13-5-3-4-8-14-13/h4,8-9H,3,5-7H2,1-2H3.
What are the key properties of 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine?
2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine has a molecular weight of 187.29 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine is sourced from PubChem (CID 164529247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).