ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine

C11H16N2 — CID 143234804

IUPACethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine
SMILESC=C/C=c1/nccn/c1=C/C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-5-9-8(4-2)10-6-7-11-9;1-2/h3-7H,1H2,2H3;1-2H3/b8-4+,9-5+;
InChIKeyLRFWKQSYTPHKEB-VYMJFYGFSA-N
MW176.26 g/mol
LogP1.27
Rot. Bonds1

About ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine

ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine (PubChem CID 143234804) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine.

Molecular Properties

Compound Nameethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine
PubChem CID143234804
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine
SMILESC=C/C=c1/nccn/c1=C/C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-5-9-8(4-2)10-6-7-11-9;1-2/h3-7H,1H2,2H3;1-2H3/b8-4+,9-5+;
InChIKeyLRFWKQSYTPHKEB-VYMJFYGFSA-N
XLogP1.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine?
The IUPAC name of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine (CID 143234804) is ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine.
What is the SMILES notation for ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine?
The canonical SMILES for ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine is C=C/C=c1/nccn/c1=C/C.CC.
What is the InChIKey of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine?
The InChIKey is LRFWKQSYTPHKEB-VYMJFYGFSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-3-5-9-8(4-2)10-6-7-11-9;1-2/h3-7H,1H2,2H3;1-2H3/b8-4+,9-5+;.
What are the key properties of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine?
ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine has a molecular weight of 176.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenepyrazine is sourced from PubChem (CID 143234804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).