1-(3-anilinooxypropyl)pyrrolidin-2-one

C13H18N2O2 — CID 87356449

IUPAC1-(3-anilinooxypropyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCONc1ccccc1
InChIInChI=1S/C13H18N2O2/c16-13-8-4-9-15(13)10-5-11-17-14-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyOXTVDBBEDJYTBD-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.04
Rot. Bonds6

About 1-(3-anilinooxypropyl)pyrrolidin-2-one

1-(3-anilinooxypropyl)pyrrolidin-2-one (PubChem CID 87356449) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-anilinooxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-anilinooxypropyl)pyrrolidin-2-one
PubChem CID87356449
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3-anilinooxypropyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCONc1ccccc1
InChIInChI=1S/C13H18N2O2/c16-13-8-4-9-15(13)10-5-11-17-14-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyOXTVDBBEDJYTBD-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one
CID 94698119
1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one
CID 141398677

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinooxypropyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-anilinooxypropyl)pyrrolidin-2-one (CID 87356449) is 1-(3-anilinooxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-anilinooxypropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-anilinooxypropyl)pyrrolidin-2-one is O=C1CCCN1CCCONc1ccccc1.
What is the InChIKey of 1-(3-anilinooxypropyl)pyrrolidin-2-one?
The InChIKey is OXTVDBBEDJYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13-8-4-9-15(13)10-5-11-17-14-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2.
What are the key properties of 1-(3-anilinooxypropyl)pyrrolidin-2-one?
1-(3-anilinooxypropyl)pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinooxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 87356449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).