2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde

C8H15NO2 — CID 64598603

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
SMILESCOCC1CCN(CC=O)C1
InChIInChI=1S/C8H15NO2/c1-11-7-8-2-3-9(6-8)4-5-10/h5,8H,2-4,6-7H2,1H3
InChIKeyCRGNDGPYDNCMTA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.15
Rot. Bonds4

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde

2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde (PubChem CID 64598603) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
PubChem CID64598603
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
SMILESCOCC1CCN(CC=O)C1
InChIInChI=1S/C8H15NO2/c1-11-7-8-2-3-9(6-8)4-5-10/h5,8H,2-4,6-7H2,1H3
InChIKeyCRGNDGPYDNCMTA-UHFFFAOYSA-N
XLogP0.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.15
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

1-(4-chlorobut-2-enyl)-3-(methoxymethyl)pyrrolidine
CID 77051532
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 63972792
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
CID 64569723
2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride
CID 115013371
2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde
CID 166693019
4-[4-(methoxymethyl)piperidin-1-yl]but-2-enoic acid
CID 76997434
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine
CID 64582811

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde (CID 64598603) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde is COCC1CCN(CC=O)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde?
The InChIKey is CRGNDGPYDNCMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-7-8-2-3-9(6-8)4-5-10/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde?
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde is sourced from PubChem (CID 64598603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).