9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine

C18H19N — CID 143127917

IUPAC9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine
SMILESC=C/C=C(\C=C)C1C2=C(CCNC2)c2ccccc21
InChIInChI=1S/C18H19N/c1-3-7-13(4-2)18-16-9-6-5-8-14(16)15-10-11-19-12-17(15)18/h3-9,18-19H,1-2,10-12H2/b13-7+
InChIKeyFXYFRNIPSZMBOB-NTUHNPAUSA-N
MW249.36 g/mol
LogP3.83
Rot. Bonds3

About 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine

9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine (PubChem CID 143127917) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine.

Molecular Properties

Compound Name9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine
PubChem CID143127917
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine
SMILESC=C/C=C(\C=C)C1C2=C(CCNC2)c2ccccc21
InChIInChI=1S/C18H19N/c1-3-7-13(4-2)18-16-9-6-5-8-14(16)15-10-11-19-12-17(15)18/h3-9,18-19H,1-2,10-12H2/b13-7+
InChIKeyFXYFRNIPSZMBOB-NTUHNPAUSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine with MolForge

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Related Compounds

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N-(9H-fluoren-9-yl)-5-fluoro-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine?
The IUPAC name of 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine (CID 143127917) is 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine.
What is the SMILES notation for 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine?
The canonical SMILES for 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine is C=C/C=C(\C=C)C1C2=C(CCNC2)c2ccccc21.
What is the InChIKey of 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine?
The InChIKey is FXYFRNIPSZMBOB-NTUHNPAUSA-N. The full InChI is InChI=1S/C18H19N/c1-3-7-13(4-2)18-16-9-6-5-8-14(16)15-10-11-19-12-17(15)18/h3-9,18-19H,1-2,10-12H2/b13-7+.
What are the key properties of 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine?
9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine has a molecular weight of 249.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3E)-hexa-1,3,5-trien-3-yl]-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine is sourced from PubChem (CID 143127917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).