ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid

C14H25NO2 — CID 143195151

IUPACethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid
SMILESC/C=C\C(=C/CC)C1CCC(C(=O)O)N1.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-3-5-9(6-4-2)10-7-8-11(13-10)12(14)15;1-2/h3,5-6,10-11,13H,4,7-8H2,1-2H3,(H,14,15);1-2H3/b5-3-,9-6+;
InChIKeyHCYGGCZKESXFSD-XRVNEYCPSA-N
MW239.36 g/mol
LogP3.13
Rot. Bonds4

About ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid

ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 143195151) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID143195151
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid
SMILESC/C=C\C(=C/CC)C1CCC(C(=O)O)N1.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-3-5-9(6-4-2)10-7-8-11(13-10)12(14)15;1-2/h3,5-6,10-11,13H,4,7-8H2,1-2H3,(H,14,15);1-2H3/b5-3-,9-6+;
InChIKeyHCYGGCZKESXFSD-XRVNEYCPSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid
CID 177295796
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
bis((2S,5S)-5-hydroxypyrrolidine-2-carboxylic acid);silver
CID 50897483
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
CID 112757650
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
CID 143979713
5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 112574784
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid (CID 143195151) is ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid is C/C=C\C(=C/CC)C1CCC(C(=O)O)N1.CC.
What is the InChIKey of ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is HCYGGCZKESXFSD-XRVNEYCPSA-N. The full InChI is InChI=1S/C12H19NO2.C2H6/c1-3-5-9(6-4-2)10-7-8-11(13-10)12(14)15;1-2/h3,5-6,10-11,13H,4,7-8H2,1-2H3,(H,14,15);1-2H3/b5-3-,9-6+;.
What are the key properties of ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid?
ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 143195151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).