2-(3-methoxyazetidin-1-yl)-2-methylpropanal

C8H15NO2 — CID 131209528

IUPAC2-(3-methoxyazetidin-1-yl)-2-methylpropanal
SMILESCOC1CN(C(C)(C)C=O)C1
InChIInChI=1S/C8H15NO2/c1-8(2,6-10)9-4-7(5-9)11-3/h6-7H,4-5H2,1-3H3
InChIKeyGETGVADVOOKOBR-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.29
Rot. Bonds3

About 2-(3-methoxyazetidin-1-yl)-2-methylpropanal

2-(3-methoxyazetidin-1-yl)-2-methylpropanal (PubChem CID 131209528) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(3-methoxyazetidin-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(3-methoxyazetidin-1-yl)-2-methylpropanal
PubChem CID131209528
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(3-methoxyazetidin-1-yl)-2-methylpropanal
SMILESCOC1CN(C(C)(C)C=O)C1
InChIInChI=1S/C8H15NO2/c1-8(2,6-10)9-4-7(5-9)11-3/h6-7H,4-5H2,1-3H3
InChIKeyGETGVADVOOKOBR-UHFFFAOYSA-N
XLogP0.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 58998168
CID 58998168
2-(3-fluoropyrrolidin-1-yl)-2-methylpropanal
CID 146225301
2-amino-2-methylpropanal;methoxycyclopentane
CID 143881407
3-methoxy-1-(2,2,4,4-tetramethylpentan-3-yl)azetidine
CID 171753291
CID 146695503
CID 146695503
1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 118084446
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile
CID 130667119
tert-butyl (2R,4S)-2-formyl-4-methoxypyrrolidine-1-carboxylate
CID 124652560
(E)-3-(3-methoxyazetidin-1-yl)prop-2-enoic acid
CID 130547619
N-tert-butyl-2-(3-methoxyazetidin-1-yl)acetamide
CID 129033912
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanal
CID 103538767
(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine
CID 166649366

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyazetidin-1-yl)-2-methylpropanal?
The IUPAC name of 2-(3-methoxyazetidin-1-yl)-2-methylpropanal (CID 131209528) is 2-(3-methoxyazetidin-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(3-methoxyazetidin-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(3-methoxyazetidin-1-yl)-2-methylpropanal is COC1CN(C(C)(C)C=O)C1.
What is the InChIKey of 2-(3-methoxyazetidin-1-yl)-2-methylpropanal?
The InChIKey is GETGVADVOOKOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,6-10)9-4-7(5-9)11-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(3-methoxyazetidin-1-yl)-2-methylpropanal?
2-(3-methoxyazetidin-1-yl)-2-methylpropanal has a molecular weight of 157.21 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyazetidin-1-yl)-2-methylpropanal is sourced from PubChem (CID 131209528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).