(2S)-1-methoxypyrrolidine-2-carbaldehyde

C6H11NO2 — CID 22868725

IUPAC(2S)-1-methoxypyrrolidine-2-carbaldehyde
SMILESCON1CCC[C@H]1C=O
InChIInChI=1S/C6H11NO2/c1-9-7-4-2-3-6(7)5-8/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyRTQLEMRGWWLEEP-LURJTMIESA-N
MW129.16 g/mol
LogP0.21
Rot. Bonds2

About (2S)-1-methoxypyrrolidine-2-carbaldehyde

(2S)-1-methoxypyrrolidine-2-carbaldehyde (PubChem CID 22868725) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-1-methoxypyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-methoxypyrrolidine-2-carbaldehyde
PubChem CID22868725
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S)-1-methoxypyrrolidine-2-carbaldehyde
SMILESCON1CCC[C@H]1C=O
InChIInChI=1S/C6H11NO2/c1-9-7-4-2-3-6(7)5-8/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyRTQLEMRGWWLEEP-LURJTMIESA-N
XLogP0.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-1-methoxypyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-methoxypyrrolidine-2-carbaldehyde (CID 22868725) is (2S)-1-methoxypyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-methoxypyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-methoxypyrrolidine-2-carbaldehyde is CON1CCC[C@H]1C=O.
What is the InChIKey of (2S)-1-methoxypyrrolidine-2-carbaldehyde?
The InChIKey is RTQLEMRGWWLEEP-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-7-4-2-3-6(7)5-8/h5-6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-methoxypyrrolidine-2-carbaldehyde?
(2S)-1-methoxypyrrolidine-2-carbaldehyde has a molecular weight of 129.16 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxypyrrolidine-2-carbaldehyde is sourced from PubChem (CID 22868725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).