ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid

C13H21NO2 — CID 143289861

IUPACethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid
SMILESC=C/C=C1/CC(C(=O)O)NC/C1=C/C.CC
InChIInChI=1S/C11H15NO2.C2H6/c1-3-5-9-6-10(11(13)14)12-7-8(9)4-2;1-2/h3-5,10,12H,1,6-7H2,2H3,(H,13,14);1-2H3/b8-4-,9-5-;
InChIKeyUOCZAPYUBAYYLC-JCXGGTBASA-N
MW223.32 g/mol
LogP2.52
Rot. Bonds2

About ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid

ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid (PubChem CID 143289861) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid
PubChem CID143289861
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid
SMILESC=C/C=C1/CC(C(=O)O)NC/C1=C/C.CC
InChIInChI=1S/C11H15NO2.C2H6/c1-3-5-9-6-10(11(13)14)12-7-8(9)4-2;1-2/h3-5,10,12H,1,6-7H2,2H3,(H,13,14);1-2H3/b8-4-,9-5-;
InChIKeyUOCZAPYUBAYYLC-JCXGGTBASA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.52
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 ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid?
The IUPAC name of ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid (CID 143289861) is ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid.
What is the SMILES notation for ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid?
The canonical SMILES for ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid is C=C/C=C1/CC(C(=O)O)NC/C1=C/C.CC.
What is the InChIKey of ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid?
The InChIKey is UOCZAPYUBAYYLC-JCXGGTBASA-N. The full InChI is InChI=1S/C11H15NO2.C2H6/c1-3-5-9-6-10(11(13)14)12-7-8(9)4-2;1-2/h3-5,10,12H,1,6-7H2,2H3,(H,13,14);1-2H3/b8-4-,9-5-;.
What are the key properties of ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid?
ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid has a molecular weight of 223.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid is sourced from PubChem (CID 143289861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).