5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one

C12H18N2O — CID 104655651

IUPAC5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one
SMILESC=CCCC(C)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C12H18N2O/c1-4-5-6-10(2)13-11-7-8-12(15)14(3)9-11/h4,7-10,13H,1,5-6H2,2-3H3
InChIKeyZNNLMYZTIMOZTE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.15
Rot. Bonds5

About 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one

5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one (PubChem CID 104655651) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one
PubChem CID104655651
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one
SMILESC=CCCC(C)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C12H18N2O/c1-4-5-6-10(2)13-11-7-8-12(15)14(3)9-11/h4,7-10,13H,1,5-6H2,2-3H3
InChIKeyZNNLMYZTIMOZTE-UHFFFAOYSA-N
XLogP2.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one (CID 104655651) is 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one is C=CCCC(C)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one?
The InChIKey is ZNNLMYZTIMOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-5-6-10(2)13-11-7-8-12(15)14(3)9-11/h4,7-10,13H,1,5-6H2,2-3H3.
What are the key properties of 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one?
5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 104655651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).