4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one

C13H16N2O — CID 106189539

IUPAC4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NC/C=C/c2ccccc2)CN1
InChIInChI=1S/C13H16N2O/c16-13-9-12(10-15-13)14-8-4-7-11-5-2-1-3-6-11/h1-7,12,14H,8-10H2,(H,15,16)/b7-4+
InChIKeySOHPZBVTHHQIOJ-QPJJXVBHSA-N
MW216.28 g/mol
LogP1.18
Rot. Bonds4

About 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one

4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one (PubChem CID 106189539) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one
PubChem CID106189539
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NC/C=C/c2ccccc2)CN1
InChIInChI=1S/C13H16N2O/c16-13-9-12(10-15-13)14-8-4-7-11-5-2-1-3-6-11/h1-7,12,14H,8-10H2,(H,15,16)/b7-4+
InChIKeySOHPZBVTHHQIOJ-QPJJXVBHSA-N
XLogP1.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one (CID 106189539) is 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one is O=C1CC(NC/C=C/c2ccccc2)CN1.
What is the InChIKey of 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one?
The InChIKey is SOHPZBVTHHQIOJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13-9-12(10-15-13)14-8-4-7-11-5-2-1-3-6-11/h1-7,12,14H,8-10H2,(H,15,16)/b7-4+.
What are the key properties of 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one?
4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106189539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).