1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid

C14H17NO2 — CID 76985412

IUPAC1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC=Cc2ccccc2)C1
InChIInChI=1S/C14H17NO2/c16-14(17)13-8-10-15(11-13)9-4-7-12-5-2-1-3-6-12/h1-7,13H,8-11H2,(H,16,17)
InChIKeySSSXHDRLTJSDLC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.11
Rot. Bonds4

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

1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid (PubChem CID 76985412) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
PubChem CID76985412
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC=Cc2ccccc2)C1
InChIInChI=1S/C14H17NO2/c16-14(17)13-8-10-15(11-13)9-4-7-12-5-2-1-3-6-12/h1-7,13H,8-11H2,(H,16,17)
InChIKeySSSXHDRLTJSDLC-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6038045
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
1-[(E)-3-[4-(3-phenylpropoxy)phenyl]prop-2-enyl]piperidine-4-carboxylic acid;hydrochloride
CID 66852517
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid (CID 76985412) is 1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CC=Cc2ccccc2)C1.
What is the InChIKey of 1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SSSXHDRLTJSDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)13-8-10-15(11-13)9-4-7-12-5-2-1-3-6-12/h1-7,13H,8-11H2,(H,16,17).
What are the key properties of 1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid?
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 76985412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).