6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one

C11H13NO2 — CID 146164558

IUPAC6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one
SMILESC/C=C/C(=O)Cn1c(C)cccc1=O
InChIInChI=1S/C11H13NO2/c1-3-5-10(13)8-12-9(2)6-4-7-11(12)14/h3-7H,8H2,1-2H3/b5-3+
InChIKeyHZBCQPVZMFBXGN-HWKANZROSA-N
MW191.23 g/mol
LogP1.30
Rot. Bonds3

About 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one

6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one (PubChem CID 146164558) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one
PubChem CID146164558
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one
SMILESC/C=C/C(=O)Cn1c(C)cccc1=O
InChIInChI=1S/C11H13NO2/c1-3-5-10(13)8-12-9(2)6-4-7-11(12)14/h3-7H,8H2,1-2H3/b5-3+
InChIKeyHZBCQPVZMFBXGN-HWKANZROSA-N
XLogP1.30
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one (CID 146164558) is 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one is C/C=C/C(=O)Cn1c(C)cccc1=O.
What is the InChIKey of 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one?
The InChIKey is HZBCQPVZMFBXGN-HWKANZROSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-5-10(13)8-12-9(2)6-4-7-11(12)14/h3-7H,8H2,1-2H3/b5-3+.
What are the key properties of 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one?
6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one is sourced from PubChem (CID 146164558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).