ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide

C12H16N2O — CID 143913519

IUPACethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide
SMILESC=C/C(C(N)=O)=c1/cccnc1=C.CC
InChIInChI=1S/C10H10N2O.C2H6/c1-3-8(10(11)13)9-5-4-6-12-7(9)2;1-2/h3-6H,1-2H2,(H2,11,13);1-2H3/b9-8+;
InChIKeyVXAIUQKRDLRILI-HRNDJLQDSA-N
MW204.27 g/mol
LogP0.34
Rot. Bonds2

About ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide

ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide (PubChem CID 143913519) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide.

Molecular Properties

Compound Nameethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide
PubChem CID143913519
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Nameethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide
SMILESC=C/C(C(N)=O)=c1/cccnc1=C.CC
InChIInChI=1S/C10H10N2O.C2H6/c1-3-8(10(11)13)9-5-4-6-12-7(9)2;1-2/h3-6H,1-2H2,(H2,11,13);1-2H3/b9-8+;
InChIKeyVXAIUQKRDLRILI-HRNDJLQDSA-N
XLogP0.34
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide?
The IUPAC name of ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide (CID 143913519) is ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide.
What is the SMILES notation for ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide?
The canonical SMILES for ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide is C=C/C(C(N)=O)=c1/cccnc1=C.CC.
What is the InChIKey of ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide?
The InChIKey is VXAIUQKRDLRILI-HRNDJLQDSA-N. The full InChI is InChI=1S/C10H10N2O.C2H6/c1-3-8(10(11)13)9-5-4-6-12-7(9)2;1-2/h3-6H,1-2H2,(H2,11,13);1-2H3/b9-8+;.
What are the key properties of ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide?
ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide has a molecular weight of 204.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide is sourced from PubChem (CID 143913519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).