1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one

C20H28N2O3 — CID 25382885

IUPAC1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-19-10-5-12-21(19)13-11-20(24)22-14-15-25-18(16-22)9-4-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2/t18-/m0/s1
InChIKeyIGLKAQKXWFWACG-SFHVURJKSA-N
MW344.45 g/mol
LogP2.25
Rot. Bonds7

About 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one

1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one (PubChem CID 25382885) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one
PubChem CID25382885
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-19-10-5-12-21(19)13-11-20(24)22-14-15-25-18(16-22)9-4-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2/t18-/m0/s1
InChIKeyIGLKAQKXWFWACG-SFHVURJKSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one (CID 25382885) is 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCC(=O)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one?
The InChIKey is IGLKAQKXWFWACG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19-10-5-12-21(19)13-11-20(24)22-14-15-25-18(16-22)9-4-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2/t18-/m0/s1.
What are the key properties of 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one?
1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 25382885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).