5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide

C16H20N2O3 — CID 2901935

IUPAC5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H20N2O3/c19-15-9-12(11-18(15)13-5-2-1-3-6-13)16(20)17-10-14-7-4-8-21-14/h1-3,5-6,12,14H,4,7-11H2,(H,17,20)
InChIKeyPSTFUXGUJCXCBA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.33
Rot. Bonds4

About 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide

5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide (PubChem CID 2901935) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide
PubChem CID2901935
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H20N2O3/c19-15-9-12(11-18(15)13-5-2-1-3-6-13)16(20)17-10-14-7-4-8-21-14/h1-3,5-6,12,14H,4,7-11H2,(H,17,20)
InChIKeyPSTFUXGUJCXCBA-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide (CID 2901935) is 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide is O=C(NCC1CCCO1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is PSTFUXGUJCXCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15-9-12(11-18(15)13-5-2-1-3-6-13)16(20)17-10-14-7-4-8-21-14/h1-3,5-6,12,14H,4,7-11H2,(H,17,20).
What are the key properties of 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide?
5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(oxolan-2-ylmethyl)-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2901935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).