5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal

C17H31N3O — CID 178080494

IUPAC5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal
SMILESC=CC1=C(C=C)N(C)CCN1.CCCCCC=O.[H]/N=C/C
InChIInChI=1S/C9H14N2.C6H12O.C2H5N/c1-4-8-9(5-2)11(3)7-6-10-8;1-2-3-4-5-6-7;1-2-3/h4-5,10H,1-2,6-7H2,3H3;6H,2-5H2,1H3;2-3H,1H3/b;;3-2+
InChIKeyHTTSXRINADYZFY-CITOEQSFSA-N
MW293.45 g/mol
LogP3.53
Rot. Bonds6

About 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal

5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal (PubChem CID 178080494) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal.

Molecular Properties

Compound Name5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal
PubChem CID178080494
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal
SMILESC=CC1=C(C=C)N(C)CCN1.CCCCCC=O.[H]/N=C/C
InChIInChI=1S/C9H14N2.C6H12O.C2H5N/c1-4-8-9(5-2)11(3)7-6-10-8;1-2-3-4-5-6-7;1-2-3/h4-5,10H,1-2,6-7H2,3H3;6H,2-5H2,1H3;2-3H,1H3/b;;3-2+
InChIKeyHTTSXRINADYZFY-CITOEQSFSA-N
XLogP3.53
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

azane;octadecanal
CID 87079794
acetaldehyde;dodecanal
CID 163903587
hexanal;titanium
CID 87066655
decanal;decane
CID 157361056
hexanal;trihydrochloride
CID 175325753
nonanal;oct-1-ene
CID 157284500
heptanal;hept-1-ene
CID 174946758
tetrakis(rhodium);tridecanal
CID 173078093
undecanal;hydrate
CID 154984235
decanal;dihydrochloride
CID 87616227
ruthenium;tridecanal
CID 175429355
octadec-6-ynal
CID 87656650

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal?
The IUPAC name of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal (CID 178080494) is 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal.
What is the SMILES notation for 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal?
The canonical SMILES for 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal is C=CC1=C(C=C)N(C)CCN1.CCCCCC=O.[H]/N=C/C.
What is the InChIKey of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal?
The InChIKey is HTTSXRINADYZFY-CITOEQSFSA-N. The full InChI is InChI=1S/C9H14N2.C6H12O.C2H5N/c1-4-8-9(5-2)11(3)7-6-10-8;1-2-3-4-5-6-7;1-2-3/h4-5,10H,1-2,6-7H2,3H3;6H,2-5H2,1H3;2-3H,1H3/b;;3-2+.
What are the key properties of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal?
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal has a molecular weight of 293.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal is sourced from PubChem (CID 178080494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).