(5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one

C14H17NO3 — CID 143586124

IUPAC(5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one
SMILESC=c1/c(=C\C=C/C)ccc(=O)n1CC1OCCO1
InChIInChI=1S/C14H17NO3/c1-3-4-5-12-6-7-13(16)15(11(12)2)10-14-17-8-9-18-14/h3-7,14H,2,8-10H2,1H3/b4-3-,12-5-
InChIKeyGPJLATVZHBCQGZ-HVSXSXIDSA-N
MW247.29 g/mol
LogP-0.01
Rot. Bonds3

About (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one

(5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one (PubChem CID 143586124) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one.

Molecular Properties

Compound Name(5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one
PubChem CID143586124
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one
SMILESC=c1/c(=C\C=C/C)ccc(=O)n1CC1OCCO1
InChIInChI=1S/C14H17NO3/c1-3-4-5-12-6-7-13(16)15(11(12)2)10-14-17-8-9-18-14/h3-7,14H,2,8-10H2,1H3/b4-3-,12-5-
InChIKeyGPJLATVZHBCQGZ-HVSXSXIDSA-N
XLogP-0.01
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one with MolForge

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Related Compounds

1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one
CID 59397940
5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one
CID 143375951
1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde
CID 59397876
1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one
CID 59397875
(5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane
CID 143375658
1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one
CID 158843653
7-bromo-1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one;7-bromo-4-methyl-1H-naphthalen-2-one
CID 160694027
N-cyclopropyl-1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carboxamide;1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carboxylic acid
CID 158351827
2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane
CID 10702589
2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one
CID 66474746
5-amino-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 165482338
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole
CID 142535309

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one?
The IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one (CID 143586124) is (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one.
What is the SMILES notation for (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one?
The canonical SMILES for (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one is C=c1/c(=C\C=C/C)ccc(=O)n1CC1OCCO1.
What is the InChIKey of (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one?
The InChIKey is GPJLATVZHBCQGZ-HVSXSXIDSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-4-5-12-6-7-13(16)15(11(12)2)10-14-17-8-9-18-14/h3-7,14H,2,8-10H2,1H3/b4-3-,12-5-.
What are the key properties of (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one?
(5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one has a molecular weight of 247.29 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one is sourced from PubChem (CID 143586124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).