1-prop-2-enyl-2H-pyridine-3-carboxamide

C9H12N2O — CID 67500778

IUPAC1-prop-2-enyl-2H-pyridine-3-carboxamide
SMILESC=CCN1C=CC=C(C(N)=O)C1
InChIInChI=1S/C9H12N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h2-4,6H,1,5,7H2,(H2,10,12)
InChIKeyUKADJVYIQJJYLC-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.41
Rot. Bonds3

About 1-prop-2-enyl-2H-pyridine-3-carboxamide

1-prop-2-enyl-2H-pyridine-3-carboxamide (PubChem CID 67500778) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-prop-2-enyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-prop-2-enyl-2H-pyridine-3-carboxamide
PubChem CID67500778
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-prop-2-enyl-2H-pyridine-3-carboxamide
SMILESC=CCN1C=CC=C(C(N)=O)C1
InChIInChI=1S/C9H12N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h2-4,6H,1,5,7H2,(H2,10,12)
InChIKeyUKADJVYIQJJYLC-UHFFFAOYSA-N
XLogP0.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.41
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 1-prop-2-enyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-prop-2-enyl-2H-pyridine-3-carboxamide (CID 67500778) is 1-prop-2-enyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-prop-2-enyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-prop-2-enyl-2H-pyridine-3-carboxamide is C=CCN1C=CC=C(C(N)=O)C1.
What is the InChIKey of 1-prop-2-enyl-2H-pyridine-3-carboxamide?
The InChIKey is UKADJVYIQJJYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h2-4,6H,1,5,7H2,(H2,10,12).
What are the key properties of 1-prop-2-enyl-2H-pyridine-3-carboxamide?
1-prop-2-enyl-2H-pyridine-3-carboxamide has a molecular weight of 164.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 67500778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).