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

C12H20N4O2 — CID 60916696

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CC2CNCC2C1
InChIInChI=1S/C12H20N4O2/c1-2-3-14-12(18)15-11(17)8-16-6-9-4-13-5-10(9)7-16/h2,9-10,13H,1,3-8H2,(H2,14,15,17,18)
InChIKeyXZTBNDBORIVMAS-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.85
Rot. Bonds4

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

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 60916696) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID60916696
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CC2CNCC2C1
InChIInChI=1S/C12H20N4O2/c1-2-3-14-12(18)15-11(17)8-16-6-9-4-13-5-10(9)7-16/h2,9-10,13H,1,3-8H2,(H2,14,15,17,18)
InChIKeyXZTBNDBORIVMAS-UHFFFAOYSA-N
XLogP-0.85
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide (CID 60916696) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=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-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is XZTBNDBORIVMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-14-12(18)15-11(17)8-16-6-9-4-13-5-10(9)7-16/h2,9-10,13H,1,3-8H2,(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-(prop-2-enylcarbamoyl)acetamide?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 252.32 g/mol, XLogP of -0.85, 4 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-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 60916696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).