2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde

C20H25NO — CID 11808581

IUPAC2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde
SMILESC=CCCCC1=C(C=O)C(c2ccccc2)C=CN1CCC
InChIInChI=1S/C20H25NO/c1-3-5-7-12-20-19(16-22)18(13-15-21(20)14-4-2)17-10-8-6-9-11-17/h3,6,8-11,13,15-16,18H,1,4-5,7,12,14H2,2H3
InChIKeyRBWLQROMHFBZFM-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.82
Rot. Bonds8

About 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde

2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde (PubChem CID 11808581) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde
PubChem CID11808581
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde
SMILESC=CCCCC1=C(C=O)C(c2ccccc2)C=CN1CCC
InChIInChI=1S/C20H25NO/c1-3-5-7-12-20-19(16-22)18(13-15-21(20)14-4-2)17-10-8-6-9-11-17/h3,6,8-11,13,15-16,18H,1,4-5,7,12,14H2,2H3
InChIKeyRBWLQROMHFBZFM-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde?
The IUPAC name of 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde (CID 11808581) is 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde is C=CCCCC1=C(C=O)C(c2ccccc2)C=CN1CCC.
What is the InChIKey of 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde?
The InChIKey is RBWLQROMHFBZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-5-7-12-20-19(16-22)18(13-15-21(20)14-4-2)17-10-8-6-9-11-17/h3,6,8-11,13,15-16,18H,1,4-5,7,12,14H2,2H3.
What are the key properties of 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde?
2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde has a molecular weight of 295.43 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enyl-4-phenyl-1-propyl-4H-pyridine-3-carbaldehyde is sourced from PubChem (CID 11808581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).