3-but-3-en-2-yl-1H-pyridin-2-one

C9H11NO — CID 55288424

IUPAC3-but-3-en-2-yl-1H-pyridin-2-one
SMILESC=CC(C)c1ccc[nH]c1=O
InChIInChI=1S/C9H11NO/c1-3-7(2)8-5-4-6-10-9(8)11/h3-7H,1H2,2H3,(H,10,11)
InChIKeyMNGWGPGBKNJGDF-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.66
Rot. Bonds2

About 3-but-3-en-2-yl-1H-pyridin-2-one

3-but-3-en-2-yl-1H-pyridin-2-one (PubChem CID 55288424) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-but-3-en-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-but-3-en-2-yl-1H-pyridin-2-one
PubChem CID55288424
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-but-3-en-2-yl-1H-pyridin-2-one
SMILESC=CC(C)c1ccc[nH]c1=O
InChIInChI=1S/C9H11NO/c1-3-7(2)8-5-4-6-10-9(8)11/h3-7H,1H2,2H3,(H,10,11)
InChIKeyMNGWGPGBKNJGDF-UHFFFAOYSA-N
XLogP1.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylpyridin-2-ol
CID 12354337
3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
4-Tert-butylpyridin-2-ol
CID 14543259
5-Ethyl-2-pyridinol
CID 19365871
3-Cyclopropylpyridin-2(1H)-one
CID 56972692
3-Tert-butyl-1,2-dihydropyridin-2-one
CID 57588057
3,3'-Bipyridine-2,2'-diol
CID 824616
4-Ethylpyridin-2(1H)-one
CID 19378747
Diethylpyridinone
CID 20040028
3-Propylpyridin-2(1H)-one
CID 20227391
3-Isopropylpyridin-2(1H)-one
CID 20605553
Pentylpyridon
CID 21469924

Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-but-3-en-2-yl-1H-pyridin-2-one (CID 55288424) is 3-but-3-en-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-but-3-en-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-but-3-en-2-yl-1H-pyridin-2-one is C=CC(C)c1ccc[nH]c1=O.
What is the InChIKey of 3-but-3-en-2-yl-1H-pyridin-2-one?
The InChIKey is MNGWGPGBKNJGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-7(2)8-5-4-6-10-9(8)11/h3-7H,1H2,2H3,(H,10,11).
What are the key properties of 3-but-3-en-2-yl-1H-pyridin-2-one?
3-but-3-en-2-yl-1H-pyridin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 55288424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).