(E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol

C11H15NO — CID 118281667

IUPAC(E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol
SMILESC=C1CCC=N/C1=C/C=C(\C)CO
InChIInChI=1S/C11H15NO/c1-9(8-13)5-6-11-10(2)4-3-7-12-11/h5-7,13H,2-4,8H2,1H3/b9-5+,11-6+
InChIKeyKNXUCAMVLFYVDW-MPEOSAONSA-N
MW177.25 g/mol
LogP2.23
Rot. Bonds2

About (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol

(E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol (PubChem CID 118281667) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol.

Molecular Properties

Compound Name(E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol
PubChem CID118281667
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol
SMILESC=C1CCC=N/C1=C/C=C(\C)CO
InChIInChI=1S/C11H15NO/c1-9(8-13)5-6-11-10(2)4-3-7-12-11/h5-7,13H,2-4,8H2,1H3/b9-5+,11-6+
InChIKeyKNXUCAMVLFYVDW-MPEOSAONSA-N
XLogP2.23
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol?
The IUPAC name of (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol (CID 118281667) is (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol.
What is the SMILES notation for (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol?
The canonical SMILES for (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol is C=C1CCC=N/C1=C/C=C(\C)CO.
What is the InChIKey of (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol?
The InChIKey is KNXUCAMVLFYVDW-MPEOSAONSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(8-13)5-6-11-10(2)4-3-7-12-11/h5-7,13H,2-4,8H2,1H3/b9-5+,11-6+.
What are the key properties of (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol?
(E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol has a molecular weight of 177.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-2-methyl-4-(5-methylidene-3,4-dihydropyridin-6-ylidene)but-2-en-1-ol is sourced from PubChem (CID 118281667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).