(5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one

C16H19NO2 — CID 141111140

IUPAC(5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one
SMILESC/C=C\c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C16H19NO2/c1-2-4-12-5-3-6-13(11-12)15(18)9-7-14-8-10-16(19)17-14/h2-7,9,11,14-15,18H,8,10H2,1H3,(H,17,19)/b4-2-,9-7+/t14-,15?/m0/s1
InChIKeySWDPQMUEIZMIOA-LZLSDUSPSA-N
MW257.33 g/mol
LogP2.59
Rot. Bonds4

About (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one

(5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one (PubChem CID 141111140) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one
PubChem CID141111140
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one
SMILESC/C=C\c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C16H19NO2/c1-2-4-12-5-3-6-13(11-12)15(18)9-7-14-8-10-16(19)17-14/h2-7,9,11,14-15,18H,8,10H2,1H3,(H,17,19)/b4-2-,9-7+/t14-,15?/m0/s1
InChIKeySWDPQMUEIZMIOA-LZLSDUSPSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one (CID 141111140) is (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one is C/C=C\c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2)c1.
What is the InChIKey of (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one?
The InChIKey is SWDPQMUEIZMIOA-LZLSDUSPSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-4-12-5-3-6-13(11-12)15(18)9-7-14-8-10-16(19)17-14/h2-7,9,11,14-15,18H,8,10H2,1H3,(H,17,19)/b4-2-,9-7+/t14-,15?/m0/s1.
What are the key properties of (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one?
(5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 141111140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).