1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine

C13H17N — CID 149026209

IUPAC1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine
SMILESCC1=C(C2=CC=CCN2C)CCC=C1
InChIInChI=1S/C13H17N/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2/h3,5-7,9H,4,8,10H2,1-2H3
InChIKeyQELMMKNKCZLZMF-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.04
Rot. Bonds1

About 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine

1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine (PubChem CID 149026209) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine
PubChem CID149026209
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine
SMILESCC1=C(C2=CC=CCN2C)CCC=C1
InChIInChI=1S/C13H17N/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2/h3,5-7,9H,4,8,10H2,1-2H3
InChIKeyQELMMKNKCZLZMF-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine?
The IUPAC name of 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine (CID 149026209) is 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine.
What is the SMILES notation for 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine?
The canonical SMILES for 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine is CC1=C(C2=CC=CCN2C)CCC=C1.
What is the InChIKey of 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine?
The InChIKey is QELMMKNKCZLZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2/h3,5-7,9H,4,8,10H2,1-2H3.
What are the key properties of 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine?
1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine is sourced from PubChem (CID 149026209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).