1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid

C14H17NO2 — CID 43442189

IUPAC1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(17)13-9-5-11-15(13)10-4-8-12-6-2-1-3-7-12/h1-4,6-8,13H,5,9-11H2,(H,16,17)/b8-4+
InChIKeyHTWLNYVLGOGDES-XBXARRHUSA-N
MW231.30 g/mol
LogP2.25
Rot. Bonds4

About 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid

1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442189) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
PubChem CID43442189
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(17)13-9-5-11-15(13)10-4-8-12-6-2-1-3-7-12/h1-4,6-8,13H,5,9-11H2,(H,16,17)/b8-4+
InChIKeyHTWLNYVLGOGDES-XBXARRHUSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 122036670
(2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 122038301
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid
CID 122040340
(2S)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 140581488
[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781111
(2S)-1-(4-amino-4-oxobut-2-enyl)pyrrolidine-2-carboxylic acid
CID 69407633
1-[(Z)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-enyl]piperidine-2-carboxylic acid;hydrochloride
CID 70010385
1-[(E)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-enyl]piperidine-2-carboxylic acid;hydrochloride
CID 70009181
(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxylic acid
CID 155262305
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 11717409
1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 71379396

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid (CID 43442189) is 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C/C=C/c1ccccc1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HTWLNYVLGOGDES-XBXARRHUSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)13-9-5-11-15(13)10-4-8-12-6-2-1-3-7-12/h1-4,6-8,13H,5,9-11H2,(H,16,17)/b8-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid?
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).