3-methyl-3-[(4-nitrophenyl)methoxy]azetidine

C11H14N2O3 — CID 83067251

IUPAC3-methyl-3-[(4-nitrophenyl)methoxy]azetidine
SMILESCC1(OCc2ccc([N+](=O)[O-])cc2)CNC1
InChIInChI=1S/C11H14N2O3/c1-11(7-12-8-11)16-6-9-2-4-10(5-3-9)13(14)15/h2-5,12H,6-8H2,1H3
InChIKeyGGNSRPKVLRTEAO-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.47
Rot. Bonds4

About 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine

3-methyl-3-[(4-nitrophenyl)methoxy]azetidine (PubChem CID 83067251) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine.

Molecular Properties

Compound Name3-methyl-3-[(4-nitrophenyl)methoxy]azetidine
PubChem CID83067251
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-methyl-3-[(4-nitrophenyl)methoxy]azetidine
SMILESCC1(OCc2ccc([N+](=O)[O-])cc2)CNC1
InChIInChI=1S/C11H14N2O3/c1-11(7-12-8-11)16-6-9-2-4-10(5-3-9)13(14)15/h2-5,12H,6-8H2,1H3
InChIKeyGGNSRPKVLRTEAO-UHFFFAOYSA-N
XLogP1.47
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylpiperidine
CID 107385847
3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine
CID 107385743
hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane
CID 90477499
2,2-dimethyl-1-[(4-nitrophenyl)methyl]piperazine
CID 65462102
1-nitro-4-(phosphorosooxymethyl)benzene
CID 58371231
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
N-(2-bromo-4-nitrophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655824
1-(ethoxymethyl)-4-nitrobenzene;N-methylmethanamine
CID 70210038
(4-nitrophenyl)methoxyboronic acid
CID 11116985
(4-nitrophenyl)methyl (4-methylphenyl)methanesulfonate
CID 122480252
3-methyl-3-(phenylmethoxymethoxy)azetidine
CID 106938741
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine?
The IUPAC name of 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine (CID 83067251) is 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine.
What is the SMILES notation for 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine?
The canonical SMILES for 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine is CC1(OCc2ccc([N+](=O)[O-])cc2)CNC1.
What is the InChIKey of 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine?
The InChIKey is GGNSRPKVLRTEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(7-12-8-11)16-6-9-2-4-10(5-3-9)13(14)15/h2-5,12H,6-8H2,1H3.
What are the key properties of 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine?
3-methyl-3-[(4-nitrophenyl)methoxy]azetidine has a molecular weight of 222.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-nitrophenyl)methoxy]azetidine is sourced from PubChem (CID 83067251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).