2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol

C11H16N2O2 — CID 117297782

IUPAC2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol
SMILESNOCc1cc(N2CCCC2)ccc1O
InChIInChI=1S/C11H16N2O2/c12-15-8-9-7-10(3-4-11(9)14)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2
InChIKeyNBXJWFOQSBTRBY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.38
Rot. Bonds3

About 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol

2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol (PubChem CID 117297782) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol
PubChem CID117297782
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol
SMILESNOCc1cc(N2CCCC2)ccc1O
InChIInChI=1S/C11H16N2O2/c12-15-8-9-7-10(3-4-11(9)14)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2
InChIKeyNBXJWFOQSBTRBY-UHFFFAOYSA-N
XLogP1.38
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol
CID 117341092
2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
CID 154577359
2,4-di(piperidin-1-yl)phenol
CID 130450866
4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117368692
2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol
CID 117405590
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
2-nitro-4-pyrrolidin-1-ylphenol
CID 57325180
2-phenyl-5-pyrrolidin-1-ylphenol
CID 91608204
1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine
CID 90423876
3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
3,5-di(piperidin-1-yl)phenol
CID 16638574

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol?
The IUPAC name of 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol (CID 117297782) is 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol.
What is the SMILES notation for 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol?
The canonical SMILES for 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol is NOCc1cc(N2CCCC2)ccc1O.
What is the InChIKey of 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol?
The InChIKey is NBXJWFOQSBTRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-15-8-9-7-10(3-4-11(9)14)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2.
What are the key properties of 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol?
2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol has a molecular weight of 208.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol is sourced from PubChem (CID 117297782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).