(9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane

C18H26N2O — CID 169153112

IUPAC(9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane
SMILESC=CC1=c2/c(=C\C=C/C)c(=O)c(C)cn2C(C)CN1.CC
InChIInChI=1S/C16H20N2O.C2H6/c1-5-7-8-13-15-14(6-2)17-9-12(4)18(15)10-11(3)16(13)19;1-2/h5-8,10,12,17H,2,9H2,1,3-4H3;1-2H3/b7-5-,13-8+;
InChIKeyYCXRVTABQYETNY-ODBUDDLKSA-N
MW286.42 g/mol
LogP2.00
Rot. Bonds2

About (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane

(9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane (PubChem CID 169153112) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane.

Molecular Properties

Compound Name(9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane
PubChem CID169153112
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane
SMILESC=CC1=c2/c(=C\C=C/C)c(=O)c(C)cn2C(C)CN1.CC
InChIInChI=1S/C16H20N2O.C2H6/c1-5-7-8-13-15-14(6-2)17-9-12(4)18(15)10-11(3)16(13)19;1-2/h5-8,10,12,17H,2,9H2,1,3-4H3;1-2H3/b7-5-,13-8+;
InChIKeyYCXRVTABQYETNY-ODBUDDLKSA-N
XLogP2.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane with MolForge

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Related Compounds

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1-Methyl-8-(piperidin-1-ylmethyl)-9 H-beta-carbolin-7-ol
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1,1,3,5-tetramethyl-9a,10-dihydro-5aH-phenazin-2-one
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1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one
CID 20773088
5-(4-Propan-2-ylpiperazin-1-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,8,10,12-hexaene-2,14-dione
CID 57722923
9-[2-(dimethylamino)propyl]-1-methyl-2H-pyrido[3,4-b]indol-7-one
CID 86298672
3-Methyl-4-aza-1-azoniapentacyclo[11.8.1.01,6.09,22.015,20]docosa-8,10,13(22),14,16,20-hexaen-7-one
CID 88723527
9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one
CID 90459737
9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one
CID 90459839
9-[2-(dimethylamino)propyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one
CID 90460161
1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one
CID 90460250

Frequently Asked Questions

What is the IUPAC name of (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane?
The IUPAC name of (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane (CID 169153112) is (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane.
What is the SMILES notation for (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane?
The canonical SMILES for (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane is C=CC1=c2/c(=C\C=C/C)c(=O)c(C)cn2C(C)CN1.CC.
What is the InChIKey of (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane?
The InChIKey is YCXRVTABQYETNY-ODBUDDLKSA-N. The full InChI is InChI=1S/C16H20N2O.C2H6/c1-5-7-8-13-15-14(6-2)17-9-12(4)18(15)10-11(3)16(13)19;1-2/h5-8,10,12,17H,2,9H2,1,3-4H3;1-2H3/b7-5-,13-8+;.
What are the key properties of (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane?
(9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane has a molecular weight of 286.42 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane is sourced from PubChem (CID 169153112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).