ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine

C13H22N2 — CID 143256662

IUPACethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine
SMILESC=C(C)/C=c1/nccnc1=C.CC.CC
InChIInChI=1S/C9H10N2.2C2H6/c1-7(2)6-9-8(3)10-4-5-11-9;2*1-2/h4-6H,1,3H2,2H3;2*1-2H3/b9-6+;;
InChIKeyKROWWIWACUDXHL-SWSRPJROSA-N
MW206.33 g/mol
LogP2.30
Rot. Bonds1

About ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine

ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine (PubChem CID 143256662) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine.

Molecular Properties

Compound Nameethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine
PubChem CID143256662
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine
SMILESC=C(C)/C=c1/nccnc1=C.CC.CC
InChIInChI=1S/C9H10N2.2C2H6/c1-7(2)6-9-8(3)10-4-5-11-9;2*1-2/h4-6H,1,3H2,2H3;2*1-2H3/b9-6+;;
InChIKeyKROWWIWACUDXHL-SWSRPJROSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(3E,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-trien-3-yl]ethanimine
CID 163986819
N-[(3E,5Z)-3-fluoro-7-methylidenenona-1,3,5,8-tetraen-2-yl]ethanimine
CID 169960632
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
6-(3,4-Dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine
CID 57159616
5-methyl-6H-cyclopenta[b]pyrazine
CID 59467405
(2E)-3-methylidene-2-prop-2-enylidenepyridine
CID 60116677
N-(6-methylcyclohexa-1,5-dien-1-yl)ethanimine
CID 68266833
N-[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]ethanimine
CID 68360465
3-Methylidene-2-prop-2-enylidenepyridine
CID 72652539
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine?
The IUPAC name of ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine (CID 143256662) is ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine.
What is the SMILES notation for ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine?
The canonical SMILES for ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine is C=C(C)/C=c1/nccnc1=C.CC.CC.
What is the InChIKey of ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine?
The InChIKey is KROWWIWACUDXHL-SWSRPJROSA-N. The full InChI is InChI=1S/C9H10N2.2C2H6/c1-7(2)6-9-8(3)10-4-5-11-9;2*1-2/h4-6H,1,3H2,2H3;2*1-2H3/b9-6+;;.
What are the key properties of ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine?
ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine has a molecular weight of 206.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-2-methylidene-3-(2-methylprop-2-enylidene)pyrazine is sourced from PubChem (CID 143256662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).