(2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

C8H16N2 — CID 124526119

IUPAC(2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESC[C@@H]1C[C@H]2CN(C)C[C@H]2N1
InChIInChI=1S/C8H16N2/c1-6-3-7-4-10(2)5-8(7)9-6/h6-9H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeySKJKLBZVGRVHNA-GJMOJQLCSA-N
MW140.23 g/mol
LogP0.30
Rot. Bonds

About (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

(2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (PubChem CID 124526119) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
PubChem CID124526119
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESC[C@@H]1C[C@H]2CN(C)C[C@H]2N1
InChIInChI=1S/C8H16N2/c1-6-3-7-4-10(2)5-8(7)9-6/h6-9H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeySKJKLBZVGRVHNA-GJMOJQLCSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (CID 124526119) is (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is C[C@@H]1C[C@H]2CN(C)C[C@H]2N1.
What is the InChIKey of (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The InChIKey is SKJKLBZVGRVHNA-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-3-7-4-10(2)5-8(7)9-6/h6-9H,3-5H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
(2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole has a molecular weight of 140.23 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 124526119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).