ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one

C11H16N2O — CID 142957645

IUPACethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one
SMILESC=C/C=c1/ncc(=O)[nH]/c1=C/C.CC
InChIInChI=1S/C9H10N2O.C2H6/c1-3-5-8-7(4-2)11-9(12)6-10-8;1-2/h3-6H,1H2,2H3,(H,11,12);1-2H3/b7-4+,8-5+;
InChIKeyWFDARXJAZBRQNQ-JJHSXXHRSA-N
MW192.26 g/mol
LogP0.56
Rot. Bonds1

About ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one

ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one (PubChem CID 142957645) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one.

Molecular Properties

Compound Nameethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one
PubChem CID142957645
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one
SMILESC=C/C=c1/ncc(=O)[nH]/c1=C/C.CC
InChIInChI=1S/C9H10N2O.C2H6/c1-3-5-8-7(4-2)11-9(12)6-10-8;1-2/h3-6H,1H2,2H3,(H,11,12);1-2H3/b7-4+,8-5+;
InChIKeyWFDARXJAZBRQNQ-JJHSXXHRSA-N
XLogP0.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide
CID 23388689
N-(5-methyliminopenta-1,3-dien-3-yl)acetamide
CID 74046699
N-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]acetamide
CID 90091431
(5E)-6-methylidene-5-prop-2-enylidenepyrazin-2-one
CID 117932079
(6E)-5-methylidene-6-prop-2-enylidenepyrazin-2-one
CID 117932083
N-(2H-azepin-6-yl)acetamide
CID 123439367
(5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one
CID 126704692
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrazin-2-one
CID 134292775
ethane;(5E)-5-ethylidene-6-propan-2-ylidenepyrazin-2-one
CID 141779819
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide
CID 141868008
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-1H-pyrazin-2-one
CID 141943612

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one?
The IUPAC name of ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one (CID 142957645) is ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one.
What is the SMILES notation for ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one?
The canonical SMILES for ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one is C=C/C=c1/ncc(=O)[nH]/c1=C/C.CC.
What is the InChIKey of ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one?
The InChIKey is WFDARXJAZBRQNQ-JJHSXXHRSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-3-5-8-7(4-2)11-9(12)6-10-8;1-2/h3-6H,1H2,2H3,(H,11,12);1-2H3/b7-4+,8-5+;.
What are the key properties of ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one?
ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one has a molecular weight of 192.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrazin-2-one is sourced from PubChem (CID 142957645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).