(3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one

C26H33NO4 — CID 15685619

IUPAC(3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one
SMILESCC/C=C/CCCC1(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(=O)N1C
InChIInChI=1S/C26H33NO4/c1-3-4-5-6-13-18-26(29)24(31-20-22-16-11-8-12-17-22)23(25(28)27(26)2)30-19-21-14-9-7-10-15-21/h4-5,7-12,14-17,23-24,29H,3,6,13,18-20H2,1-2H3/b5-4+/t23-,24-,26?/m1/s1
InChIKeyMXEJYNWOMUYPGW-CQTYZFBZSA-N
MW423.55 g/mol
LogP4.45
Rot. Bonds11

About (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one

(3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one (PubChem CID 15685619) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one
PubChem CID15685619
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name(3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one
SMILESCC/C=C/CCCC1(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(=O)N1C
InChIInChI=1S/C26H33NO4/c1-3-4-5-6-13-18-26(29)24(31-20-22-16-11-8-12-17-22)23(25(28)27(26)2)30-19-21-14-9-7-10-15-21/h4-5,7-12,14-17,23-24,29H,3,6,13,18-20H2,1-2H3/b5-4+/t23-,24-,26?/m1/s1
InChIKeyMXEJYNWOMUYPGW-CQTYZFBZSA-N
XLogP4.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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(3S,4S)-5-hydroxy-1,5-dimethyl-4-phenylmethoxy-3-(phenylmethoxymethyl)pyrrolidin-2-one
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(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
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1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[3-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]phenyl]urea
CID 10441277

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one?
The IUPAC name of (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one (CID 15685619) is (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one?
The canonical SMILES for (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one is CC/C=C/CCCC1(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(=O)N1C.
What is the InChIKey of (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one?
The InChIKey is MXEJYNWOMUYPGW-CQTYZFBZSA-N. The full InChI is InChI=1S/C26H33NO4/c1-3-4-5-6-13-18-26(29)24(31-20-22-16-11-8-12-17-22)23(25(28)27(26)2)30-19-21-14-9-7-10-15-21/h4-5,7-12,14-17,23-24,29H,3,6,13,18-20H2,1-2H3/b5-4+/t23-,24-,26?/m1/s1.
What are the key properties of (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one?
(3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one has a molecular weight of 423.55 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-[(E)-hept-4-enyl]-5-hydroxy-1-methyl-3,4-bis(phenylmethoxy)pyrrolidin-2-one is sourced from PubChem (CID 15685619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).