(3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane

C22H35N3 — CID 144563099

IUPAC(3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane
SMILESC=C/C(C)=c1/cncc/c1=C(/C=C)c1cnc(C)[nH]1.CC.CC.CC
InChIInChI=1S/C16H17N3.3C2H6/c1-5-11(3)15-9-17-8-7-14(15)13(6-2)16-10-18-12(4)19-16;3*1-2/h5-10H,1-2H2,3-4H3,(H,18,19);3*1-2H3/b14-13+,15-11-;;;
InChIKeyIKWOUHMSSVGXMI-HNEYSDGTSA-N
MW341.54 g/mol
LogP4.93
Rot. Bonds3

About (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane

(3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane (PubChem CID 144563099) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane.

Molecular Properties

Compound Name(3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane
PubChem CID144563099
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name(3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane
SMILESC=C/C(C)=c1/cncc/c1=C(/C=C)c1cnc(C)[nH]1.CC.CC.CC
InChIInChI=1S/C16H17N3.3C2H6/c1-5-11(3)15-9-17-8-7-14(15)13(6-2)16-10-18-12(4)19-16;3*1-2/h5-10H,1-2H2,3-4H3,(H,18,19);3*1-2H3/b14-13+,15-11-;;;
InChIKeyIKWOUHMSSVGXMI-HNEYSDGTSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane?
The IUPAC name of (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane (CID 144563099) is (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane.
What is the SMILES notation for (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane?
The canonical SMILES for (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane is C=C/C(C)=c1/cncc/c1=C(/C=C)c1cnc(C)[nH]1.CC.CC.CC.
What is the InChIKey of (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane?
The InChIKey is IKWOUHMSSVGXMI-HNEYSDGTSA-N. The full InChI is InChI=1S/C16H17N3.3C2H6/c1-5-11(3)15-9-17-8-7-14(15)13(6-2)16-10-18-12(4)19-16;3*1-2/h5-10H,1-2H2,3-4H3,(H,18,19);3*1-2H3/b14-13+,15-11-;;;.
What are the key properties of (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane?
(3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane has a molecular weight of 341.54 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3-but-3-en-2-ylidene-4-[1-(2-methyl-1H-imidazol-5-yl)prop-2-enylidene]pyridine;ethane is sourced from PubChem (CID 144563099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).