4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine

C13H19NO — CID 175756689

IUPAC4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC1=CC(C2=CCN(C)CC2)=CCC1
InChIInChI=1S/C13H19NO/c1-14-8-6-11(7-9-14)12-4-3-5-13(10-12)15-2/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyULLGLVVUXFRCTO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.50
Rot. Bonds2

About 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine

4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 175756689) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID175756689
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC1=CC(C2=CCN(C)CC2)=CCC1
InChIInChI=1S/C13H19NO/c1-14-8-6-11(7-9-14)12-4-3-5-13(10-12)15-2/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyULLGLVVUXFRCTO-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 175756689) is 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine is COC1=CC(C2=CCN(C)CC2)=CCC1.
What is the InChIKey of 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is ULLGLVVUXFRCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-8-6-11(7-9-14)12-4-3-5-13(10-12)15-2/h4,6,10H,3,5,7-9H2,1-2H3.
What are the key properties of 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 205.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 175756689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).