(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid

C12H17NO2 — CID 143289858

IUPAC(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid
SMILESC/C=C\C=C1\CNC(C(=O)O)C\C1=C\C
InChIInChI=1S/C12H17NO2/c1-3-5-6-10-8-13-11(12(14)15)7-9(10)4-2/h3-6,11,13H,7-8H2,1-2H3,(H,14,15)/b5-3-,9-4-,10-6-
InChIKeyMSPXCZIXBKZUBD-FQTAFLNRSA-N
MW207.27 g/mol
LogP1.88
Rot. Bonds2

About (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid

(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid (PubChem CID 143289858) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid
PubChem CID143289858
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid
SMILESC/C=C\C=C1\CNC(C(=O)O)C\C1=C\C
InChIInChI=1S/C12H17NO2/c1-3-5-6-10-8-13-11(12(14)15)7-9(10)4-2/h3-6,11,13H,7-8H2,1-2H3,(H,14,15)/b5-3-,9-4-,10-6-
InChIKeyMSPXCZIXBKZUBD-FQTAFLNRSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylidenepiperidine-2-carboxylic acid
CID 91220064
2-(Cyclohexa-1,5-dien-1-ylmethylamino)-6,6,6-trifluoro-4-methylhexanoic acid
CID 145300805
1-Hydroxyoct-6-enoylglycine
CID 131802916
(Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid
CID 143168813
4-Propyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 18446365
4-Butyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 18446394
(2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 22885566
(2S)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 22885567
2-(Cyclohex-2-en-1-ylamino)-4-methylpentanoic acid
CID 23297600
(2S)-2-(cyclohex-2-en-1-ylmethylamino)-4-methylpentanoic acid
CID 54094622
2-(3-Cyclohexa-2,4-dien-1-ylprop-2-enoylamino)hexanoic acid
CID 57359459
2-(5-Aminopentylamino)-3-(5-nitrosocyclohexa-1,3-dien-1-yl)propanoic acid
CID 58823690

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid?
The IUPAC name of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid (CID 143289858) is (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid.
What is the SMILES notation for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid?
The canonical SMILES for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid is C/C=C\C=C1\CNC(C(=O)O)C\C1=C\C.
What is the InChIKey of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid?
The InChIKey is MSPXCZIXBKZUBD-FQTAFLNRSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-5-6-10-8-13-11(12(14)15)7-9(10)4-2/h3-6,11,13H,7-8H2,1-2H3,(H,14,15)/b5-3-,9-4-,10-6-.
What are the key properties of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid?
(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid has a molecular weight of 207.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid is sourced from PubChem (CID 143289858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).