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

C12H22N4O2 — CID 60916970

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CC2CNCC2C1
InChIInChI=1S/C12H22N4O2/c1-8(2)14-12(18)15-11(17)7-16-5-9-3-13-4-10(9)6-16/h8-10,13H,3-7H2,1-2H3,(H2,14,15,17,18)
InChIKeyYGDWXOJVKRVPTF-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.63
Rot. Bonds3

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

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 60916970) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID60916970
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CC2CNCC2C1
InChIInChI=1S/C12H22N4O2/c1-8(2)14-12(18)15-11(17)7-16-5-9-3-13-4-10(9)6-16/h8-10,13H,3-7H2,1-2H3,(H2,14,15,17,18)
InChIKeyYGDWXOJVKRVPTF-UHFFFAOYSA-N
XLogP-0.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.63
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-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide (CID 60916970) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CN1CC2CNCC2C1.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is YGDWXOJVKRVPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)14-12(18)15-11(17)7-16-5-9-3-13-4-10(9)6-16/h8-10,13H,3-7H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of -0.63, 3 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-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 60916970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).