3-(4-methoxyphenyl)-2-propyloxaziridine

C11H15NO2 — CID 22034391

IUPAC3-(4-methoxyphenyl)-2-propyloxaziridine
SMILESCCCN1OC1c1ccc(OC)cc1
InChIInChI=1S/C11H15NO2/c1-3-8-12-11(14-12)9-4-6-10(13-2)7-5-9/h4-7,11H,3,8H2,1-2H3
InChIKeyWFIUOFKOXGTXFC-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.35
Rot. Bonds4

About 3-(4-methoxyphenyl)-2-propyloxaziridine

3-(4-methoxyphenyl)-2-propyloxaziridine (PubChem CID 22034391) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-propyloxaziridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-propyloxaziridine
PubChem CID22034391
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(4-methoxyphenyl)-2-propyloxaziridine
SMILESCCCN1OC1c1ccc(OC)cc1
InChIInChI=1S/C11H15NO2/c1-3-8-12-11(14-12)9-4-6-10(13-2)7-5-9/h4-7,11H,3,8H2,1-2H3
InChIKeyWFIUOFKOXGTXFC-UHFFFAOYSA-N
XLogP2.35
TPSA24.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine
CID 44521137
1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
CID 132838740
3-(4-methoxyphenyl)-1-propylpiperidine;hydrochloride
CID 70348446
2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one
CID 13095133
5-ethyl-2-(4-methoxyphenyl)-3-propylimidazolidin-4-one
CID 83242345
(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine
CID 11013665
3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
CID 162398178
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
methyl (2S)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]propanoate
CID 101388318
2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol
CID 81422138
3-ethoxy-5-methoxy-4-(4-methoxyphenyl)-1-methylpiperidine
CID 18730019
6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium
CID 72956818

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-propyloxaziridine?
The IUPAC name of 3-(4-methoxyphenyl)-2-propyloxaziridine (CID 22034391) is 3-(4-methoxyphenyl)-2-propyloxaziridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-propyloxaziridine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-propyloxaziridine is CCCN1OC1c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-propyloxaziridine?
The InChIKey is WFIUOFKOXGTXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8-12-11(14-12)9-4-6-10(13-2)7-5-9/h4-7,11H,3,8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-propyloxaziridine?
3-(4-methoxyphenyl)-2-propyloxaziridine has a molecular weight of 193.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-propyloxaziridine is sourced from PubChem (CID 22034391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).