2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide

C13H16N2O — CID 3054956

IUPAC2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide
SMILESC=CCC(CC=C)(C(N)=O)c1ccccn1
InChIInChI=1S/C13H16N2O/c1-3-8-13(9-4-2,12(14)16)11-7-5-6-10-15-11/h3-7,10H,1-2,8-9H2,(H2,14,16)
InChIKeyWTHQHCWJMUZKAQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.96
Rot. Bonds6

About 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide

2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide (PubChem CID 3054956) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide.

Molecular Properties

Compound Name2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide
PubChem CID3054956
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide
SMILESC=CCC(CC=C)(C(N)=O)c1ccccn1
InChIInChI=1S/C13H16N2O/c1-3-8-13(9-4-2,12(14)16)11-7-5-6-10-15-11/h3-7,10H,1-2,8-9H2,(H2,14,16)
InChIKeyWTHQHCWJMUZKAQ-UHFFFAOYSA-N
XLogP1.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide?
The IUPAC name of 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide (CID 3054956) is 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide.
What is the SMILES notation for 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide?
The canonical SMILES for 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide is C=CCC(CC=C)(C(N)=O)c1ccccn1.
What is the InChIKey of 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide?
The InChIKey is WTHQHCWJMUZKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-8-13(9-4-2,12(14)16)11-7-5-6-10-15-11/h3-7,10H,1-2,8-9H2,(H2,14,16).
What are the key properties of 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide?
2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide has a molecular weight of 216.28 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-pyridin-2-ylpent-4-enamide is sourced from PubChem (CID 3054956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).