1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine

C11H16N2 — CID 12740737

IUPAC1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Cn2cccc2)CC1
InChIInChI=1S/C11H16N2/c1-12-8-4-11(5-9-12)10-13-6-2-3-7-13/h2-4,6-7H,5,8-10H2,1H3
InChIKeyOZFLLBCGJOEQSV-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.75
Rot. Bonds2

About 1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine

1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 12740737) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID12740737
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Cn2cccc2)CC1
InChIInChI=1S/C11H16N2/c1-12-8-4-11(5-9-12)10-13-6-2-3-7-13/h2-4,6-7H,5,8-10H2,1H3
InChIKeyOZFLLBCGJOEQSV-UHFFFAOYSA-N
XLogP1.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine (CID 12740737) is 1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine is CN1CC=C(Cn2cccc2)CC1.
What is the InChIKey of 1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is OZFLLBCGJOEQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-12-8-4-11(5-9-12)10-13-6-2-3-7-13/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of 1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 176.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 12740737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).