6-but-3-enyl-1H-pyridin-2-one

C9H11NO — CID 131886452

IUPAC6-but-3-enyl-1H-pyridin-2-one
SMILESC=CCCc1cccc(=O)[nH]1
InChIInChI=1S/C9H11NO/c1-2-3-5-8-6-4-7-9(11)10-8/h2,4,6-7H,1,3,5H2,(H,10,11)
InChIKeyVJEVSMGKKIWEDM-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.49
Rot. Bonds3

About 6-but-3-enyl-1H-pyridin-2-one

6-but-3-enyl-1H-pyridin-2-one (PubChem CID 131886452) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 6-but-3-enyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-but-3-enyl-1H-pyridin-2-one
PubChem CID131886452
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name6-but-3-enyl-1H-pyridin-2-one
SMILESC=CCCc1cccc(=O)[nH]1
InChIInChI=1S/C9H11NO/c1-2-3-5-8-6-4-7-9(11)10-8/h2,4,6-7H,1,3,5H2,(H,10,11)
InChIKeyVJEVSMGKKIWEDM-UHFFFAOYSA-N
XLogP1.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.49
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 6-but-3-enyl-1H-pyridin-2-one?
The IUPAC name of 6-but-3-enyl-1H-pyridin-2-one (CID 131886452) is 6-but-3-enyl-1H-pyridin-2-one.
What is the SMILES notation for 6-but-3-enyl-1H-pyridin-2-one?
The canonical SMILES for 6-but-3-enyl-1H-pyridin-2-one is C=CCCc1cccc(=O)[nH]1.
What is the InChIKey of 6-but-3-enyl-1H-pyridin-2-one?
The InChIKey is VJEVSMGKKIWEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-3-5-8-6-4-7-9(11)10-8/h2,4,6-7H,1,3,5H2,(H,10,11).
What are the key properties of 6-but-3-enyl-1H-pyridin-2-one?
6-but-3-enyl-1H-pyridin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-1H-pyridin-2-one is sourced from PubChem (CID 131886452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).