3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one

C13H20N2O — CID 168932531

IUPAC3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one
SMILESC=CCC(C)(CC)Cn1cccc(N)c1=O
InChIInChI=1S/C13H20N2O/c1-4-8-13(3,5-2)10-15-9-6-7-11(14)12(15)16/h4,6-7,9H,1,5,8,10,14H2,2-3H3
InChIKeyZNKSHDWGJNJARR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.42
Rot. Bonds5

About 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one

3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one (PubChem CID 168932531) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one
PubChem CID168932531
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one
SMILESC=CCC(C)(CC)Cn1cccc(N)c1=O
InChIInChI=1S/C13H20N2O/c1-4-8-13(3,5-2)10-15-9-6-7-11(14)12(15)16/h4,6-7,9H,1,5,8,10,14H2,2-3H3
InChIKeyZNKSHDWGJNJARR-UHFFFAOYSA-N
XLogP2.42
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 55035658
3-amino-1-[(4-iodophenyl)methyl]pyridin-2-one
CID 65478210
3-amino-1-[(2,6-difluorophenyl)methyl]pyridin-2-one
CID 114930175
3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one
CID 65317704
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one (CID 168932531) is 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one is C=CCC(C)(CC)Cn1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one?
The InChIKey is ZNKSHDWGJNJARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-8-13(3,5-2)10-15-9-6-7-11(14)12(15)16/h4,6-7,9H,1,5,8,10,14H2,2-3H3.
What are the key properties of 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one?
3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethyl-2-methylpent-4-enyl)pyridin-2-one is sourced from PubChem (CID 168932531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).