1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one

C15H20N2O — CID 173486816

IUPAC1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one
SMILESCC=C/C(=N\C=C(/C)n1ccccc1=O)C(C)C
InChIInChI=1S/C15H20N2O/c1-5-8-14(12(2)3)16-11-13(4)17-10-7-6-9-15(17)18/h5-12H,1-4H3/b8-5?,13-11+,16-14+
InChIKeyDCFPOKGFVHPAGZ-FBYWIHANSA-N
MW244.34 g/mol
LogP3.34
Rot. Bonds4

About 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one

1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one (PubChem CID 173486816) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one
PubChem CID173486816
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one
SMILESCC=C/C(=N\C=C(/C)n1ccccc1=O)C(C)C
InChIInChI=1S/C15H20N2O/c1-5-8-14(12(2)3)16-11-13(4)17-10-7-6-9-15(17)18/h5-12H,1-4H3/b8-5?,13-11+,16-14+
InChIKeyDCFPOKGFVHPAGZ-FBYWIHANSA-N
XLogP3.34
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one?
The IUPAC name of 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one (CID 173486816) is 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one?
The canonical SMILES for 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one is CC=C/C(=N\C=C(/C)n1ccccc1=O)C(C)C.
What is the InChIKey of 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one?
The InChIKey is DCFPOKGFVHPAGZ-FBYWIHANSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-8-14(12(2)3)16-11-13(4)17-10-7-6-9-15(17)18/h5-12H,1-4H3/b8-5?,13-11+,16-14+.
What are the key properties of 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one?
1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(2-methylhex-4-en-3-ylideneamino)prop-1-en-2-yl]pyridin-2-one is sourced from PubChem (CID 173486816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).