(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one

C6H10N2O — CID 54029352

IUPAC(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one
SMILESO=C1C[C@@H]2CNC[C@H]2N1
InChIInChI=1S/C6H10N2O/c9-6-1-4-2-7-3-5(4)8-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m1/s1
InChIKeyLELWCGYOYKRSOE-RFZPGFLSSA-N
MW126.16 g/mol
LogP-0.91
Rot. Bonds

About (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one

(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one (PubChem CID 54029352) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one.

Molecular Properties

Compound Name(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one
PubChem CID54029352
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one
SMILESO=C1C[C@@H]2CNC[C@H]2N1
InChIInChI=1S/C6H10N2O/c9-6-1-4-2-7-3-5(4)8-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m1/s1
InChIKeyLELWCGYOYKRSOE-RFZPGFLSSA-N
XLogP-0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one?
The IUPAC name of (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one (CID 54029352) is (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one.
What is the SMILES notation for (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one?
The canonical SMILES for (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one is O=C1C[C@@H]2CNC[C@H]2N1.
What is the InChIKey of (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one?
The InChIKey is LELWCGYOYKRSOE-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10N2O/c9-6-1-4-2-7-3-5(4)8-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m1/s1.
What are the key properties of (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one?
(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one has a molecular weight of 126.16 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one is sourced from PubChem (CID 54029352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).