1-(2-methylphenyl)-3,6-dihydro-2H-pyridine

C12H15N — CID 19612143

IUPAC1-(2-methylphenyl)-3,6-dihydro-2H-pyridine
SMILESCc1ccccc1N1CC=CCC1
InChIInChI=1S/C12H15N/c1-11-7-3-4-8-12(11)13-9-5-2-6-10-13/h2-5,7-8H,6,9-10H2,1H3
InChIKeyGQUFDQBDKBWTMW-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.76
Rot. Bonds1

About 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine

1-(2-methylphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 19612143) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-methylphenyl)-3,6-dihydro-2H-pyridine
PubChem CID19612143
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-(2-methylphenyl)-3,6-dihydro-2H-pyridine
SMILESCc1ccccc1N1CC=CCC1
InChIInChI=1S/C12H15N/c1-11-7-3-4-8-12(11)13-9-5-2-6-10-13/h2-5,7-8H,6,9-10H2,1H3
InChIKeyGQUFDQBDKBWTMW-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine (CID 19612143) is 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine is Cc1ccccc1N1CC=CCC1.
What is the InChIKey of 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is GQUFDQBDKBWTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-11-7-3-4-8-12(11)13-9-5-2-6-10-13/h2-5,7-8H,6,9-10H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine?
1-(2-methylphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 173.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19612143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).