3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine

C13H18N2O2 — CID 134504603

IUPAC3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine
SMILESCC1CN(CCOCc2ccccc2)C1N=O
InChIInChI=1S/C13H18N2O2/c1-11-9-15(13(11)14-16)7-8-17-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyXJSZJLCNHUAEFT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.25
Rot. Bonds6

About 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine

3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine (PubChem CID 134504603) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine.

Molecular Properties

Compound Name3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine
PubChem CID134504603
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine
SMILESCC1CN(CCOCc2ccccc2)C1N=O
InChIInChI=1S/C13H18N2O2/c1-11-9-15(13(11)14-16)7-8-17-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyXJSZJLCNHUAEFT-UHFFFAOYSA-N
XLogP2.25
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-(2-phenylmethoxyethyl)piperazine-1-carboxylic acid
CID 90345091
4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane
CID 11436891
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 56719615
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol
CID 53230988
ethane;phenylmethoxymethylbenzene
CID 90943549
3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one
CID 135122861
ethane;2-phenylmethoxyethanamine
CID 142016503
N,N-dimethyl-2-[(1R,5S)-6-(2-phenylmethoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133132144
3-[1-(bromomethyl)-3-methylcyclobutyl]propoxymethylbenzene
CID 165445921

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine?
The IUPAC name of 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine (CID 134504603) is 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine.
What is the SMILES notation for 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine?
The canonical SMILES for 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine is CC1CN(CCOCc2ccccc2)C1N=O.
What is the InChIKey of 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine?
The InChIKey is XJSZJLCNHUAEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11-9-15(13(11)14-16)7-8-17-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine?
3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine has a molecular weight of 234.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine is sourced from PubChem (CID 134504603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).