(2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde

C7H13NO2 — CID 11579148

IUPAC(2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde
SMILESCOC[C@@H]1CCCN1C=O
InChIInChI=1S/C7H13NO2/c1-10-5-7-3-2-4-8(7)6-9/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyJNIOQRWRORXADR-ZETCQYMHSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds3

About (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde

(2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde (PubChem CID 11579148) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde
PubChem CID11579148
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde
SMILESCOC[C@@H]1CCCN1C=O
InChIInChI=1S/C7H13NO2/c1-10-5-7-3-2-4-8(7)6-9/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyJNIOQRWRORXADR-ZETCQYMHSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde (CID 11579148) is (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde is COC[C@@H]1CCCN1C=O.
What is the InChIKey of (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde?
The InChIKey is JNIOQRWRORXADR-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-5-7-3-2-4-8(7)6-9/h6-7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde?
(2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 11579148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).