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

C6H10N2O — CID 67386683

IUPAC2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one
SMILESO=C1NCC2CCNC12
InChIInChI=1S/C6H10N2O/c9-6-5-4(3-8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9)
InChIKeyOWUKCNLPZKSUSF-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.91
Rot. Bonds

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

2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one (PubChem CID 67386683) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one
PubChem CID67386683
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one
SMILESO=C1NCC2CCNC12
InChIInChI=1S/C6H10N2O/c9-6-5-4(3-8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9)
InChIKeyOWUKCNLPZKSUSF-UHFFFAOYSA-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 2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one?
The IUPAC name of 2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one (CID 67386683) is 2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one.
What is the SMILES notation for 2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one?
The canonical SMILES for 2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one is O=C1NCC2CCNC12.
What is the InChIKey of 2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one?
The InChIKey is OWUKCNLPZKSUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c9-6-5-4(3-8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9).
What are the key properties of 2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one?
2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-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 2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one is sourced from PubChem (CID 67386683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).