(3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine

C14H19N — CID 170122965

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine
SMILESC=c1nccc(C(C)(C)C)/c1=C/C=C\C
InChIInChI=1S/C14H19N/c1-6-7-8-12-11(2)15-10-9-13(12)14(3,4)5/h6-10H,2H2,1,3-5H3/b7-6-,12-8+
InChIKeyGSEOZIGEJQBWMB-UGLNBITBSA-N
MW201.31 g/mol
LogP2.15
Rot. Bonds1

About (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine

(3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine (PubChem CID 170122965) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine
PubChem CID170122965
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine
SMILESC=c1nccc(C(C)(C)C)/c1=C/C=C\C
InChIInChI=1S/C14H19N/c1-6-7-8-12-11(2)15-10-9-13(12)14(3,4)5/h6-10H,2H2,1,3-5H3/b7-6-,12-8+
InChIKeyGSEOZIGEJQBWMB-UGLNBITBSA-N
XLogP2.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
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CID 91311127
2,3-Di(ethylidene)-4-propan-2-ylpyridine
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CID 91342502
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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine (CID 170122965) is (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine is C=c1nccc(C(C)(C)C)/c1=C/C=C\C.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine?
The InChIKey is GSEOZIGEJQBWMB-UGLNBITBSA-N. The full InChI is InChI=1S/C14H19N/c1-6-7-8-12-11(2)15-10-9-13(12)14(3,4)5/h6-10H,2H2,1,3-5H3/b7-6-,12-8+.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine?
(3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine has a molecular weight of 201.31 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine is sourced from PubChem (CID 170122965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).