ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol

C13H19NO — CID 143770412

IUPACethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol
SMILESC=c1ccc(C)n/c1=C(O)/C=C\C.CC
InChIInChI=1S/C11H13NO.C2H6/c1-4-5-10(13)11-8(2)6-7-9(3)12-11;1-2/h4-7,13H,2H2,1,3H3;1-2H3/b5-4-,11-10-;
InChIKeyHYONCLBZAUYZKO-ACEVCOKLSA-N
MW205.30 g/mol
LogP2.07
Rot. Bonds1

About ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol

ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol (PubChem CID 143770412) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol.

Molecular Properties

Compound Nameethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol
PubChem CID143770412
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nameethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol
SMILESC=c1ccc(C)n/c1=C(O)/C=C\C.CC
InChIInChI=1S/C11H13NO.C2H6/c1-4-5-10(13)11-8(2)6-7-9(3)12-11;1-2/h4-7,13H,2H2,1,3H3;1-2H3/b5-4-,11-10-;
InChIKeyHYONCLBZAUYZKO-ACEVCOKLSA-N
XLogP2.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol?
The IUPAC name of ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol (CID 143770412) is ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol.
What is the SMILES notation for ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol?
The canonical SMILES for ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol is C=c1ccc(C)n/c1=C(O)/C=C\C.CC.
What is the InChIKey of ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol?
The InChIKey is HYONCLBZAUYZKO-ACEVCOKLSA-N. The full InChI is InChI=1S/C11H13NO.C2H6/c1-4-5-10(13)11-8(2)6-7-9(3)12-11;1-2/h4-7,13H,2H2,1,3H3;1-2H3/b5-4-,11-10-;.
What are the key properties of ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol?
ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,1Z)-1-(6-methyl-3-methylidene-2-pyridinylidene)but-2-en-1-ol is sourced from PubChem (CID 143770412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).