(3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one

C6H9NO2 — CID 171380787

IUPAC(3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
SMILES[2H]C1([2H])C[C@H]2OC(=O)C[C@H]2N1
InChIInChI=1S/C6H9NO2/c8-6-3-4-5(9-6)1-2-7-4/h4-5,7H,1-3H2/t4-,5-/m1/s1/i2D2
InChIKeyTZRVFSMXGZGULU-RMMLTXHJSA-N
MW129.16 g/mol
LogP-0.34
Rot. Bonds

About (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one

(3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one (PubChem CID 171380787) has the molecular formula C6H9NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one.

Molecular Properties

Compound Name(3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
PubChem CID171380787
Molecular FormulaC6H9NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
SMILES[2H]C1([2H])C[C@H]2OC(=O)C[C@H]2N1
InChIInChI=1S/C6H9NO2/c8-6-3-4-5(9-6)1-2-7-4/h4-5,7H,1-3H2/t4-,5-/m1/s1/i2D2
InChIKeyTZRVFSMXGZGULU-RMMLTXHJSA-N
XLogP-0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
The IUPAC name of (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one (CID 171380787) is (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one.
What is the SMILES notation for (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
The canonical SMILES for (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one is [2H]C1([2H])C[C@H]2OC(=O)C[C@H]2N1.
What is the InChIKey of (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
The InChIKey is TZRVFSMXGZGULU-RMMLTXHJSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6-3-4-5(9-6)1-2-7-4/h4-5,7H,1-3H2/t4-,5-/m1/s1/i2D2.
What are the key properties of (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
(3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one is sourced from PubChem (CID 171380787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).