[(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone

C15H27N3O — CID 97378535

IUPAC[(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1CC[C@@H]2[C@@H]1CCN2C(=O)N1CCCC1
InChIInChI=1S/C15H27N3O/c1-12(2)11-17-9-5-14-13(17)6-10-18(14)15(19)16-7-3-4-8-16/h12-14H,3-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyKGLPCNBJKYJXSE-UONOGXRCSA-N
MW265.40 g/mol
LogP2.01
Rot. Bonds2

About [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone

[(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97378535) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID97378535
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1CC[C@@H]2[C@@H]1CCN2C(=O)N1CCCC1
InChIInChI=1S/C15H27N3O/c1-12(2)11-17-9-5-14-13(17)6-10-18(14)15(19)16-7-3-4-8-16/h12-14H,3-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyKGLPCNBJKYJXSE-UONOGXRCSA-N
XLogP2.01
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone (CID 97378535) is [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone is CC(C)CN1CC[C@@H]2[C@@H]1CCN2C(=O)N1CCCC1.
What is the InChIKey of [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KGLPCNBJKYJXSE-UONOGXRCSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)11-17-9-5-14-13(17)6-10-18(14)15(19)16-7-3-4-8-16/h12-14H,3-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone?
[(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 265.40 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97378535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).