1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione

C23H25NO3 — CID 10882999

IUPAC1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO3/c25-21(16-8-7-12-18-10-3-1-4-11-18)20-15-9-17-24(20)23(27)22(26)19-13-5-2-6-14-19/h1-6,10-11,13-14,20H,7-9,12,15-17H2/t20-/m0/s1
InChIKeyVXFYDWSHWCLBBZ-FQEVSTJZSA-N
MW363.46 g/mol
LogP3.84
Rot. Bonds8

About 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione

1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione (PubChem CID 10882999) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione
PubChem CID10882999
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO3/c25-21(16-8-7-12-18-10-3-1-4-11-18)20-15-9-17-24(20)23(27)22(26)19-13-5-2-6-14-19/h1-6,10-11,13-14,20H,7-9,12,15-17H2/t20-/m0/s1
InChIKeyVXFYDWSHWCLBBZ-FQEVSTJZSA-N
XLogP3.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione (CID 10882999) is 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione is O=C(C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione?
The InChIKey is VXFYDWSHWCLBBZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25NO3/c25-21(16-8-7-12-18-10-3-1-4-11-18)20-15-9-17-24(20)23(27)22(26)19-13-5-2-6-14-19/h1-6,10-11,13-14,20H,7-9,12,15-17H2/t20-/m0/s1.
What are the key properties of 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione?
1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione has a molecular weight of 363.46 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 10882999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).