4-(2-phenylmethoxyethyl)pyrrolidin-2-one

C13H17NO2 — CID 67116747

IUPAC4-(2-phenylmethoxyethyl)pyrrolidin-2-one
SMILESO=C1CC(CCOCc2ccccc2)CN1
InChIInChI=1S/C13H17NO2/c15-13-8-12(9-14-13)6-7-16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15)
InChIKeyXNVFWCWBOSEFPN-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.73
Rot. Bonds5

About 4-(2-phenylmethoxyethyl)pyrrolidin-2-one

4-(2-phenylmethoxyethyl)pyrrolidin-2-one (PubChem CID 67116747) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(2-phenylmethoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-phenylmethoxyethyl)pyrrolidin-2-one
PubChem CID67116747
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(2-phenylmethoxyethyl)pyrrolidin-2-one
SMILESO=C1CC(CCOCc2ccccc2)CN1
InChIInChI=1S/C13H17NO2/c15-13-8-12(9-14-13)6-7-16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15)
InChIKeyXNVFWCWBOSEFPN-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 44364674
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CID 71372039
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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-phenylmethoxyethyl)pyrrolidin-2-one (CID 67116747) is 4-(2-phenylmethoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-phenylmethoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-phenylmethoxyethyl)pyrrolidin-2-one is O=C1CC(CCOCc2ccccc2)CN1.
What is the InChIKey of 4-(2-phenylmethoxyethyl)pyrrolidin-2-one?
The InChIKey is XNVFWCWBOSEFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13-8-12(9-14-13)6-7-16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15).
What are the key properties of 4-(2-phenylmethoxyethyl)pyrrolidin-2-one?
4-(2-phenylmethoxyethyl)pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 67116747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).