1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one

C11H17NO — CID 142959924

IUPAC1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one
SMILESC/C=C\C1=C(C)C(=O)CC(C)N1C
InChIInChI=1S/C11H17NO/c1-5-6-10-9(3)11(13)7-8(2)12(10)4/h5-6,8H,7H2,1-4H3/b6-5-
InChIKeyOPBIWKBYRGAYSH-WAYWQWQTSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds1

About 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one

1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one (PubChem CID 142959924) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one
PubChem CID142959924
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one
SMILESC/C=C\C1=C(C)C(=O)CC(C)N1C
InChIInChI=1S/C11H17NO/c1-5-6-10-9(3)11(13)7-8(2)12(10)4/h5-6,8H,7H2,1-4H3/b6-5-
InChIKeyOPBIWKBYRGAYSH-WAYWQWQTSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one?
The IUPAC name of 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one (CID 142959924) is 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one?
The canonical SMILES for 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one is C/C=C\C1=C(C)C(=O)CC(C)N1C.
What is the InChIKey of 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one?
The InChIKey is OPBIWKBYRGAYSH-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-6-10-9(3)11(13)7-8(2)12(10)4/h5-6,8H,7H2,1-4H3/b6-5-.
What are the key properties of 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one?
1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one has a molecular weight of 179.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 142959924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).