1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one

C17H25NO2 — CID 59174585

IUPAC1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
SMILESCC(C)(C)c1cccc(OCCCN2CCCC2=O)c1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19/h4,7-8,13H,5-6,9-12H2,1-3H3
InChIKeyFAXYDRKHGBRWRV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds5

About 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one

1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one (PubChem CID 59174585) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
PubChem CID59174585
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
SMILESCC(C)(C)c1cccc(OCCCN2CCCC2=O)c1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19/h4,7-8,13H,5-6,9-12H2,1-3H3
InChIKeyFAXYDRKHGBRWRV-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
2-[3-(3-tert-butylphenoxy)propyl]-1,1-dioxothiazinan-3-one
CID 167749491
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
3-[3-(2-oxopiperidin-1-yl)propoxy]benzenecarbothioamide
CID 43290924
1-tert-butyl-4-[3-(3-tert-butylphenoxy)propyl]piperazine
CID 135165094
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111146945
1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one
CID 94696788
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
3-[2-(2-oxoazocan-1-yl)ethoxy]benzonitrile
CID 43289123
[1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 20619549
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one (CID 59174585) is 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one is CC(C)(C)c1cccc(OCCCN2CCCC2=O)c1.
What is the InChIKey of 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one?
The InChIKey is FAXYDRKHGBRWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19/h4,7-8,13H,5-6,9-12H2,1-3H3.
What are the key properties of 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one?
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one is sourced from PubChem (CID 59174585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).