(5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane

C16H25NO3 — CID 143375658

IUPAC(5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane
SMILESC/C=c1/c(C)cc(=O)n(CC2OCCO2)/c1=C/C.CC
InChIInChI=1S/C14H19NO3.C2H6/c1-4-11-10(3)8-13(16)15(12(11)5-2)9-14-17-6-7-18-14;1-2/h4-5,8,14H,6-7,9H2,1-3H3;1-2H3/b11-4-,12-5+;
InChIKeyNXVYTUWQKUMOEK-YNSQCSELSA-N
MW279.38 g/mol
LogP1.16
Rot. Bonds2

About (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane

(5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane (PubChem CID 143375658) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane.

Molecular Properties

Compound Name(5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane
PubChem CID143375658
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane
SMILESC/C=c1/c(C)cc(=O)n(CC2OCCO2)/c1=C/C.CC
InChIInChI=1S/C14H19NO3.C2H6/c1-4-11-10(3)8-13(16)15(12(11)5-2)9-14-17-6-7-18-14;1-2/h4-5,8,14H,6-7,9H2,1-3H3;1-2H3/b11-4-,12-5+;
InChIKeyNXVYTUWQKUMOEK-YNSQCSELSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one
CID 59397875
1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one
CID 59397940
1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde
CID 59397876
(5Z)-5-[(Z)-but-2-enylidene]-1-(1,3-dioxolan-2-ylmethyl)-6-methylidenepyridin-2-one
CID 143586124
(5Z,6E)-5,6-di(ethylidene)-4-methylpyridin-2-one
CID 139296680
7-bromo-1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one;7-bromo-4-methyl-1H-naphthalen-2-one
CID 160694027
1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one
CID 160574926
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
1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one
CID 161098405
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 103543669
5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one
CID 143375951
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane?
The IUPAC name of (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane (CID 143375658) is (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane.
What is the SMILES notation for (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane?
The canonical SMILES for (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane is C/C=c1/c(C)cc(=O)n(CC2OCCO2)/c1=C/C.CC.
What is the InChIKey of (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane?
The InChIKey is NXVYTUWQKUMOEK-YNSQCSELSA-N. The full InChI is InChI=1S/C14H19NO3.C2H6/c1-4-11-10(3)8-13(16)15(12(11)5-2)9-14-17-6-7-18-14;1-2/h4-5,8,14H,6-7,9H2,1-3H3;1-2H3/b11-4-,12-5+;.
What are the key properties of (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane?
(5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane has a molecular weight of 279.38 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-1-(1,3-dioxolan-2-ylmethyl)-5,6-di(ethylidene)-4-methylpyridin-2-one;ethane is sourced from PubChem (CID 143375658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).