5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde

C10H13NO4 — CID 131142453

IUPAC5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde
SMILESCO[C@@H]1CN(c2ccc(C=O)o2)C[C@H]1O
InChIInChI=1S/C10H13NO4/c1-14-9-5-11(4-8(9)13)10-3-2-7(6-12)15-10/h2-3,6,8-9,13H,4-5H2,1H3/t8-,9-/m1/s1
InChIKeyNWVGZCSFXMQQFO-RKDXNWHRSA-N
MW211.22 g/mol
LogP0.29
Rot. Bonds3

About 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde

5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde (PubChem CID 131142453) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde
PubChem CID131142453
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde
SMILESCO[C@@H]1CN(c2ccc(C=O)o2)C[C@H]1O
InChIInChI=1S/C10H13NO4/c1-14-9-5-11(4-8(9)13)10-3-2-7(6-12)15-10/h2-3,6,8-9,13H,4-5H2,1H3/t8-,9-/m1/s1
InChIKeyNWVGZCSFXMQQFO-RKDXNWHRSA-N
XLogP0.29
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde (CID 131142453) is 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde is CO[C@@H]1CN(c2ccc(C=O)o2)C[C@H]1O.
What is the InChIKey of 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde?
The InChIKey is NWVGZCSFXMQQFO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-9-5-11(4-8(9)13)10-3-2-7(6-12)15-10/h2-3,6,8-9,13H,4-5H2,1H3/t8-,9-/m1/s1.
What are the key properties of 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde?
5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde has a molecular weight of 211.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde is sourced from PubChem (CID 131142453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).