4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one

C11H15NO — CID 154653439

IUPAC4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one
SMILESC=CC(C)(C)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C11H15NO/c1-4-11(2,3)8-9-5-6-12-10(13)7-9/h4-7H,1,8H2,2-3H3,(H,12,13)
InChIKeyZEARLBLTUVZRRR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.13
Rot. Bonds3

About 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one

4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one (PubChem CID 154653439) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one
PubChem CID154653439
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one
SMILESC=CC(C)(C)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C11H15NO/c1-4-11(2,3)8-9-5-6-12-10(13)7-9/h4-7H,1,8H2,2-3H3,(H,12,13)
InChIKeyZEARLBLTUVZRRR-UHFFFAOYSA-N
XLogP2.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one (CID 154653439) is 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one is C=CC(C)(C)Cc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one?
The InChIKey is ZEARLBLTUVZRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-11(2,3)8-9-5-6-12-10(13)7-9/h4-7H,1,8H2,2-3H3,(H,12,13).
What are the key properties of 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one?
4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 154653439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).