5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine

C16H24N2 — CID 159149600

IUPAC5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCC/C=C/C1=CCN=C1C1=CCCN(C)C1
InChIInChI=1S/C16H24N2/c1-3-4-5-6-8-14-10-11-17-16(14)15-9-7-12-18(2)13-15/h6,8-10H,3-5,7,11-13H2,1-2H3/b8-6+
InChIKeyONMQMQCXPPEYEB-SOFGYWHQSA-N
MW244.38 g/mol
LogP3.38
Rot. Bonds5

About 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine

5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 159149600) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID159149600
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCC/C=C/C1=CCN=C1C1=CCCN(C)C1
InChIInChI=1S/C16H24N2/c1-3-4-5-6-8-14-10-11-17-16(14)15-9-7-12-18(2)13-15/h6,8-10H,3-5,7,11-13H2,1-2H3/b8-6+
InChIKeyONMQMQCXPPEYEB-SOFGYWHQSA-N
XLogP3.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine (CID 159149600) is 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine is CCCC/C=C/C1=CCN=C1C1=CCCN(C)C1.
What is the InChIKey of 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is ONMQMQCXPPEYEB-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-4-5-6-8-14-10-11-17-16(14)15-9-7-12-18(2)13-15/h6,8-10H,3-5,7,11-13H2,1-2H3/b8-6+.
What are the key properties of 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 244.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-hex-1-enyl]-2H-pyrrol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 159149600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).