2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide

C11H20N4O2 — CID 60917515

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CC2CNCC2C1
InChIInChI=1S/C11H20N4O2/c1-7(10(16)14-11(17)12-2)15-5-8-3-13-4-9(8)6-15/h7-9,13H,3-6H2,1-2H3,(H2,12,14,16,17)
InChIKeyQGYKXZVQFBJCDE-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.02
Rot. Bonds2

About 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 60917515) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide
PubChem CID60917515
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CC2CNCC2C1
InChIInChI=1S/C11H20N4O2/c1-7(10(16)14-11(17)12-2)15-5-8-3-13-4-9(8)6-15/h7-9,13H,3-6H2,1-2H3,(H2,12,14,16,17)
InChIKeyQGYKXZVQFBJCDE-UHFFFAOYSA-N
XLogP-1.02
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide (CID 60917515) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CC2CNCC2C1.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is QGYKXZVQFBJCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(10(16)14-11(17)12-2)15-5-8-3-13-4-9(8)6-15/h7-9,13H,3-6H2,1-2H3,(H2,12,14,16,17).
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 240.31 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 60917515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).