4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one

C9H13NO — CID 45082961

IUPAC4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one
SMILESC=CCC1CC(C)=CC(=O)N1
InChIInChI=1S/C9H13NO/c1-3-4-8-5-7(2)6-9(11)10-8/h3,6,8H,1,4-5H2,2H3,(H,10,11)
InChIKeyZEYHQVPCYBMFKY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds2

About 4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one

4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 45082961) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID45082961
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one
SMILESC=CCC1CC(C)=CC(=O)N1
InChIInChI=1S/C9H13NO/c1-3-4-8-5-7(2)6-9(11)10-8/h3,6,8H,1,4-5H2,2H3,(H,10,11)
InChIKeyZEYHQVPCYBMFKY-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
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-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one (CID 45082961) is 4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one is C=CCC1CC(C)=CC(=O)N1.
What is the InChIKey of 4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is ZEYHQVPCYBMFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-8-5-7(2)6-9(11)10-8/h3,6,8H,1,4-5H2,2H3,(H,10,11).
What are the key properties of 4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one?
4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 151.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 45082961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).