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

C13H17N — CID 10910277

IUPAC1-[(E)-3-phenylprop-2-enyl]pyrrolidine
SMILESC(=C/c1ccccc1)\CN1CCCC1
InChIInChI=1S/C13H17N/c1-2-7-13(8-3-1)9-6-12-14-10-4-5-11-14/h1-3,6-9H,4-5,10-12H2/b9-6+
InChIKeyJQDDBKPKXAUWMP-RMKNXTFCSA-N
MW187.29 g/mol
LogP2.80
Rot. Bonds3

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

1-[(E)-3-phenylprop-2-enyl]pyrrolidine (PubChem CID 10910277) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]pyrrolidine
PubChem CID10910277
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-[(E)-3-phenylprop-2-enyl]pyrrolidine
SMILESC(=C/c1ccccc1)\CN1CCCC1
InChIInChI=1S/C13H17N/c1-2-7-13(8-3-1)9-6-12-14-10-4-5-11-14/h1-3,6-9H,4-5,10-12H2/b9-6+
InChIKeyJQDDBKPKXAUWMP-RMKNXTFCSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine (CID 10910277) is 1-[(E)-3-phenylprop-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]pyrrolidine is C(=C/c1ccccc1)\CN1CCCC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The InChIKey is JQDDBKPKXAUWMP-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H17N/c1-2-7-13(8-3-1)9-6-12-14-10-4-5-11-14/h1-3,6-9H,4-5,10-12H2/b9-6+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
1-[(E)-3-phenylprop-2-enyl]pyrrolidine has a molecular weight of 187.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]pyrrolidine is sourced from PubChem (CID 10910277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).