(3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C10H19N3O — CID 126591279

IUPAC(3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCCNC(=O)N1C[C@H]2CN(C)C[C@H]2C1
InChIInChI=1S/C10H19N3O/c1-3-11-10(14)13-6-8-4-12(2)5-9(8)7-13/h8-9H,3-7H2,1-2H3,(H,11,14)/t8-,9+
InChIKeyRAQMUBDVWGIELX-DTORHVGOSA-N
MW197.28 g/mol
LogP0.21
Rot. Bonds1

About (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

(3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 126591279) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID126591279
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCCNC(=O)N1C[C@H]2CN(C)C[C@H]2C1
InChIInChI=1S/C10H19N3O/c1-3-11-10(14)13-6-8-4-12(2)5-9(8)7-13/h8-9H,3-7H2,1-2H3,(H,11,14)/t8-,9+
InChIKeyRAQMUBDVWGIELX-DTORHVGOSA-N
XLogP0.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 126591279) is (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is CCNC(=O)N1C[C@H]2CN(C)C[C@H]2C1.
What is the InChIKey of (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is RAQMUBDVWGIELX-DTORHVGOSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-11-10(14)13-6-8-4-12(2)5-9(8)7-13/h8-9H,3-7H2,1-2H3,(H,11,14)/t8-,9+.
What are the key properties of (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
(3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 126591279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).