(2R)-2-(phenylmethoxymethyl)aziridine

C10H13NO — CID 101263543

IUPAC(2R)-2-(phenylmethoxymethyl)aziridine
SMILESc1ccc(COC[C@H]2CN2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)7-12-8-10-6-11-10/h1-5,10-11H,6-8H2/t10-/m1/s1
InChIKeyLSYJJNJYDAQTNM-SNVBAGLBSA-N
MW163.22 g/mol
LogP1.17
Rot. Bonds4

About (2R)-2-(phenylmethoxymethyl)aziridine

(2R)-2-(phenylmethoxymethyl)aziridine (PubChem CID 101263543) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2R)-2-(phenylmethoxymethyl)aziridine.

Molecular Properties

Compound Name(2R)-2-(phenylmethoxymethyl)aziridine
PubChem CID101263543
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2R)-2-(phenylmethoxymethyl)aziridine
SMILESc1ccc(COC[C@H]2CN2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)7-12-8-10-6-11-10/h1-5,10-11H,6-8H2/t10-/m1/s1
InChIKeyLSYJJNJYDAQTNM-SNVBAGLBSA-N
XLogP1.17
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine
CID 170298793
4-methoxy-2-(phenylmethoxymethyl)pyrrolidine
CID 22001421
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
(3R,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 46783615
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
2-(phenylmethoxymethyl)thiirane
CID 12015177
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
4-(phenylmethoxymethyl)pyrrolidin-2-one
CID 105457555
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(phenylmethoxymethyl)aziridine?
The IUPAC name of (2R)-2-(phenylmethoxymethyl)aziridine (CID 101263543) is (2R)-2-(phenylmethoxymethyl)aziridine.
What is the SMILES notation for (2R)-2-(phenylmethoxymethyl)aziridine?
The canonical SMILES for (2R)-2-(phenylmethoxymethyl)aziridine is c1ccc(COC[C@H]2CN2)cc1.
What is the InChIKey of (2R)-2-(phenylmethoxymethyl)aziridine?
The InChIKey is LSYJJNJYDAQTNM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-4-9(5-3-1)7-12-8-10-6-11-10/h1-5,10-11H,6-8H2/t10-/m1/s1.
What are the key properties of (2R)-2-(phenylmethoxymethyl)aziridine?
(2R)-2-(phenylmethoxymethyl)aziridine has a molecular weight of 163.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(phenylmethoxymethyl)aziridine is sourced from PubChem (CID 101263543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).