(9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane

C18H28N2O — CID 169152871

IUPAC(9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane
SMILESC/C=C\C=c1\c(=O)c(C)cn2c1=C(C)N(C)CC2C.CC
InChIInChI=1S/C16H22N2O.C2H6/c1-6-7-8-14-15-13(4)17(5)10-12(3)18(15)9-11(2)16(14)19;1-2/h6-9,12H,10H2,1-5H3;1-2H3/b7-6-,14-8+;
InChIKeyTYKBSQTYNXUGAD-DPMLGPPCSA-N
MW288.44 g/mol
LogP2.17
Rot. Bonds1

About (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane

(9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane (PubChem CID 169152871) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane.

Molecular Properties

Compound Name(9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane
PubChem CID169152871
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane
SMILESC/C=C\C=c1\c(=O)c(C)cn2c1=C(C)N(C)CC2C.CC
InChIInChI=1S/C16H22N2O.C2H6/c1-6-7-8-14-15-13(4)17(5)10-12(3)18(15)9-11(2)16(14)19;1-2/h6-9,12H,10H2,1-5H3;1-2H3/b7-6-,14-8+;
InChIKeyTYKBSQTYNXUGAD-DPMLGPPCSA-N
XLogP2.17
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-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

(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
CID 134960675
1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
CID 135038619
1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one
CID 20773088
1-Propyl-6,7-dihydroquinolin-5-one
CID 54409466
1-Propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one
CID 58715561
CID 59094608
CID 59094608
3-Methyl-2-octyl-4-oxo-8,8a-dihydroquinoline-1-carbonitrile
CID 135128743
(3E,5E)-3-(cyclohexa-1,5-dien-1-ylmethylidene)-5-[(2E)-2-ethenylpenta-2,4-dienylidene]-1-propan-2-ylpiperidin-4-one
CID 142592034
1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one
CID 142606835
6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one;ethane
CID 142863538
ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one
CID 142959923
2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane
CID 145320348

Frequently Asked Questions

What is the IUPAC name of (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane?
The IUPAC name of (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane (CID 169152871) is (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane.
What is the SMILES notation for (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane?
The canonical SMILES for (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane is C/C=C\C=c1\c(=O)c(C)cn2c1=C(C)N(C)CC2C.CC.
What is the InChIKey of (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane?
The InChIKey is TYKBSQTYNXUGAD-DPMLGPPCSA-N. The full InChI is InChI=1S/C16H22N2O.C2H6/c1-6-7-8-14-15-13(4)17(5)10-12(3)18(15)9-11(2)16(14)19;1-2/h6-9,12H,10H2,1-5H3;1-2H3/b7-6-,14-8+;.
What are the key properties of (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane?
(9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane has a molecular weight of 288.44 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane is sourced from PubChem (CID 169152871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).