1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine

C16H18N2 — CID 67830817

IUPAC1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine
SMILESC=CCN1C=CC(=C2C=CN(CC=C)C=C2)C=C1
InChIInChI=1S/C16H18N2/c1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16/h3-8,11-14H,1-2,9-10H2
InChIKeyRXMRNSSDWOQKAR-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.34
Rot. Bonds4

About 1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine

1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine (PubChem CID 67830817) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine.

Molecular Properties

Compound Name1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine
PubChem CID67830817
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine
SMILESC=CCN1C=CC(=C2C=CN(CC=C)C=C2)C=C1
InChIInChI=1S/C16H18N2/c1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16/h3-8,11-14H,1-2,9-10H2
InChIKeyRXMRNSSDWOQKAR-UHFFFAOYSA-N
XLogP3.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.34
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-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine?
The IUPAC name of 1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine (CID 67830817) is 1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine.
What is the SMILES notation for 1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine?
The canonical SMILES for 1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine is C=CCN1C=CC(=C2C=CN(CC=C)C=C2)C=C1.
What is the InChIKey of 1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine?
The InChIKey is RXMRNSSDWOQKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16/h3-8,11-14H,1-2,9-10H2.
What are the key properties of 1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine?
1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine has a molecular weight of 238.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(1-prop-2-enyl-4-pyridinylidene)pyridine is sourced from PubChem (CID 67830817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).