1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine

C13H17NO2 — CID 146098529

IUPAC1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine
SMILESc1cc(OCC2CO2)cc(N2CCCC2)c1
InChIInChI=1S/C13H17NO2/c1-2-7-14(6-1)11-4-3-5-12(8-11)15-9-13-10-16-13/h3-5,8,13H,1-2,6-7,9-10H2
InChIKeyRXDBVHOZOLZRPW-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.06
Rot. Bonds4

About 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine

1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine (PubChem CID 146098529) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine
PubChem CID146098529
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine
SMILESc1cc(OCC2CO2)cc(N2CCCC2)c1
InChIInChI=1S/C13H17NO2/c1-2-7-14(6-1)11-4-3-5-12(8-11)15-9-13-10-16-13/h3-5,8,13H,1-2,6-7,9-10H2
InChIKeyRXDBVHOZOLZRPW-UHFFFAOYSA-N
XLogP2.06
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.06
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

5-(oxiran-2-ylmethoxy)-2-[3-(oxiran-2-ylmethoxy)phenyl]isoindole-1,3-dione
CID 139773379
2-[[3-[1,3,3-tris[3-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 59217386
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 129094059
3-(3-piperidin-1-ylphenoxy)propan-1-amine
CID 19816119
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
2-[(3-benzhydrylphenoxy)methyl]oxirane
CID 123717672
2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 158459779
1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 168512674

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine?
The IUPAC name of 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine (CID 146098529) is 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine is c1cc(OCC2CO2)cc(N2CCCC2)c1.
What is the InChIKey of 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine?
The InChIKey is RXDBVHOZOLZRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-7-14(6-1)11-4-3-5-12(8-11)15-9-13-10-16-13/h3-5,8,13H,1-2,6-7,9-10H2.
What are the key properties of 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine?
1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine has a molecular weight of 219.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 146098529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).