(3R,4R)-pyrrolidine-3,4-dicarbaldehyde

C6H9NO2 — CID 88922181

IUPAC(3R,4R)-pyrrolidine-3,4-dicarbaldehyde
SMILESO=C[C@H]1CNC[C@@H]1C=O
InChIInChI=1S/C6H9NO2/c8-3-5-1-7-2-6(5)4-9/h3-7H,1-2H2/t5-,6-/m1/s1
InChIKeyAOVSWFMFKGHECQ-PHDIDXHHSA-N
MW127.14 g/mol
LogP-0.78
Rot. Bonds2

About (3R,4R)-pyrrolidine-3,4-dicarbaldehyde

(3R,4R)-pyrrolidine-3,4-dicarbaldehyde (PubChem CID 88922181) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3R,4R)-pyrrolidine-3,4-dicarbaldehyde.

Molecular Properties

Compound Name(3R,4R)-pyrrolidine-3,4-dicarbaldehyde
PubChem CID88922181
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3R,4R)-pyrrolidine-3,4-dicarbaldehyde
SMILESO=C[C@H]1CNC[C@@H]1C=O
InChIInChI=1S/C6H9NO2/c8-3-5-1-7-2-6(5)4-9/h3-7H,1-2H2/t5-,6-/m1/s1
InChIKeyAOVSWFMFKGHECQ-PHDIDXHHSA-N
XLogP-0.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
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 (3R,4R)-pyrrolidine-3,4-dicarbaldehyde?
The IUPAC name of (3R,4R)-pyrrolidine-3,4-dicarbaldehyde (CID 88922181) is (3R,4R)-pyrrolidine-3,4-dicarbaldehyde.
What is the SMILES notation for (3R,4R)-pyrrolidine-3,4-dicarbaldehyde?
The canonical SMILES for (3R,4R)-pyrrolidine-3,4-dicarbaldehyde is O=C[C@H]1CNC[C@@H]1C=O.
What is the InChIKey of (3R,4R)-pyrrolidine-3,4-dicarbaldehyde?
The InChIKey is AOVSWFMFKGHECQ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H9NO2/c8-3-5-1-7-2-6(5)4-9/h3-7H,1-2H2/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-pyrrolidine-3,4-dicarbaldehyde?
(3R,4R)-pyrrolidine-3,4-dicarbaldehyde has a molecular weight of 127.14 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-pyrrolidine-3,4-dicarbaldehyde is sourced from PubChem (CID 88922181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).