3-(methoxymethyl)pyrrolidine-3-carbaldehyde

C7H13NO2 — CID 167739739

IUPAC3-(methoxymethyl)pyrrolidine-3-carbaldehyde
SMILESCOCC1(C=O)CCNC1
InChIInChI=1S/C7H13NO2/c1-10-6-7(5-9)2-3-8-4-7/h5,8H,2-4,6H2,1H3
InChIKeyRJLQOOKRDZBILX-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.19
Rot. Bonds3

About 3-(methoxymethyl)pyrrolidine-3-carbaldehyde

3-(methoxymethyl)pyrrolidine-3-carbaldehyde (PubChem CID 167739739) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(methoxymethyl)pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name3-(methoxymethyl)pyrrolidine-3-carbaldehyde
PubChem CID167739739
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-(methoxymethyl)pyrrolidine-3-carbaldehyde
SMILESCOCC1(C=O)CCNC1
InChIInChI=1S/C7H13NO2/c1-10-6-7(5-9)2-3-8-4-7/h5,8H,2-4,6H2,1H3
InChIKeyRJLQOOKRDZBILX-UHFFFAOYSA-N
XLogP-0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(fluoromethyl)pyrrolidine-3-carbaldehyde
CID 88894890
1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde
CID 164659254
4-(fluoromethyl)piperidine-4-carbaldehyde
CID 84762887
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901
ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280
4-ethenylpiperidine-4-carbaldehyde;methoxyethane
CID 170591163
methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde
CID 153333487
methyl 2-(3-ethylpyrrolidin-3-yl)acetate
CID 165479057
4-ethylsulfonyl-4-(methoxymethyl)piperidine
CID 99997180
3-(methoxymethyl)piperidine-3-carboxylic acid;hydrochloride
CID 122163546
1-(2-methylprop-2-enyl)cyclopentane-1-carbaldehyde
CID 130730351

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pyrrolidine-3-carbaldehyde?
The IUPAC name of 3-(methoxymethyl)pyrrolidine-3-carbaldehyde (CID 167739739) is 3-(methoxymethyl)pyrrolidine-3-carbaldehyde.
What is the SMILES notation for 3-(methoxymethyl)pyrrolidine-3-carbaldehyde?
The canonical SMILES for 3-(methoxymethyl)pyrrolidine-3-carbaldehyde is COCC1(C=O)CCNC1.
What is the InChIKey of 3-(methoxymethyl)pyrrolidine-3-carbaldehyde?
The InChIKey is RJLQOOKRDZBILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-6-7(5-9)2-3-8-4-7/h5,8H,2-4,6H2,1H3.
What are the key properties of 3-(methoxymethyl)pyrrolidine-3-carbaldehyde?
3-(methoxymethyl)pyrrolidine-3-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 167739739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).