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

C13H24N4O2 — CID 66207587

IUPAC2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC2CNCC2C1CC
InChIInChI=1S/C13H24N4O2/c1-3-11-10-6-14-5-9(10)7-17(11)8-12(18)16-13(19)15-4-2/h9-11,14H,3-8H2,1-2H3,(H2,15,16,18,19)
InChIKeyKAXLINFEUFDBNG-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.24
Rot. Bonds4

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

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide (PubChem CID 66207587) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide
PubChem CID66207587
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC2CNCC2C1CC
InChIInChI=1S/C13H24N4O2/c1-3-11-10-6-14-5-9(10)7-17(11)8-12(18)16-13(19)15-4-2/h9-11,14H,3-8H2,1-2H3,(H2,15,16,18,19)
InChIKeyKAXLINFEUFDBNG-UHFFFAOYSA-N
XLogP-0.24
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide (CID 66207587) is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN1CC2CNCC2C1CC.
What is the InChIKey of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide?
The InChIKey is KAXLINFEUFDBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-11-10-6-14-5-9(10)7-17(11)8-12(18)16-13(19)15-4-2/h9-11,14H,3-8H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide?
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 66207587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).