(3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one

C23H28N2O3 — CID 166445683

IUPAC(3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one
SMILESO=C1[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC(O)N1CC/C=C/CO
InChIInChI=1S/C23H28N2O3/c26-15-9-3-8-14-25-22(27)16-21(23(25)28)24(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-7,9-13,21-22,26-27H,8,14-18H2/b9-3+/t21-,22?/m0/s1
InChIKeyODGFQHAYCXTFHH-BBWYWDFYSA-N
MW380.49 g/mol
LogP2.55
Rot. Bonds9

About (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one

(3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one (PubChem CID 166445683) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one
PubChem CID166445683
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one
SMILESO=C1[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC(O)N1CC/C=C/CO
InChIInChI=1S/C23H28N2O3/c26-15-9-3-8-14-25-22(27)16-21(23(25)28)24(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-7,9-13,21-22,26-27H,8,14-18H2/b9-3+/t21-,22?/m0/s1
InChIKeyODGFQHAYCXTFHH-BBWYWDFYSA-N
XLogP2.55
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one (CID 166445683) is (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one is O=C1[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC(O)N1CC/C=C/CO.
What is the InChIKey of (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one?
The InChIKey is ODGFQHAYCXTFHH-BBWYWDFYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-15-9-3-8-14-25-22(27)16-21(23(25)28)24(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-7,9-13,21-22,26-27H,8,14-18H2/b9-3+/t21-,22?/m0/s1.
What are the key properties of (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one?
(3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dibenzylamino)-5-hydroxy-1-[(E)-5-hydroxypent-3-enyl]pyrrolidin-2-one is sourced from PubChem (CID 166445683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).