(3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one

C23H30FNO2 — CID 142275100

IUPAC(3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one
SMILESC=C(F)/C=C\C.C=C/C=C\C=C/CCOc1ccn(CC(=C)C)c(=O)c1C
InChIInChI=1S/C18H23NO2.C5H7F/c1-5-6-7-8-9-10-13-21-17-11-12-19(14-15(2)3)18(20)16(17)4;1-3-4-5(2)6/h5-9,11-12H,1-2,10,13-14H2,3-4H3;3-4H,2H2,1H3/b7-6-,9-8-;4-3-
InChIKeyYSBVOUKESKHJSA-MYJUKAFLSA-N
MW371.50 g/mol
LogP5.85
Rot. Bonds9

About (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one

(3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one (PubChem CID 142275100) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one
PubChem CID142275100
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name(3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one
SMILESC=C(F)/C=C\C.C=C/C=C\C=C/CCOc1ccn(CC(=C)C)c(=O)c1C
InChIInChI=1S/C18H23NO2.C5H7F/c1-5-6-7-8-9-10-13-21-17-11-12-19(14-15(2)3)18(20)16(17)4;1-3-4-5(2)6/h5-9,11-12H,1-2,10,13-14H2,3-4H3;3-4H,2H2,1H3/b7-6-,9-8-;4-3-
InChIKeyYSBVOUKESKHJSA-MYJUKAFLSA-N
XLogP5.85
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one?
The IUPAC name of (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one (CID 142275100) is (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one.
What is the SMILES notation for (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one?
The canonical SMILES for (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one is C=C(F)/C=C\C.C=C/C=C\C=C/CCOc1ccn(CC(=C)C)c(=O)c1C.
What is the InChIKey of (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one?
The InChIKey is YSBVOUKESKHJSA-MYJUKAFLSA-N. The full InChI is InChI=1S/C18H23NO2.C5H7F/c1-5-6-7-8-9-10-13-21-17-11-12-19(14-15(2)3)18(20)16(17)4;1-3-4-5(2)6/h5-9,11-12H,1-2,10,13-14H2,3-4H3;3-4H,2H2,1H3/b7-6-,9-8-;4-3-.
What are the key properties of (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one?
(3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one has a molecular weight of 371.50 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-fluoropenta-1,3-diene;3-methyl-1-(2-methylprop-2-enyl)-4-[(3Z,5Z)-octa-3,5,7-trienoxy]pyridin-2-one is sourced from PubChem (CID 142275100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).