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

C11H20N4O2 — CID 66208752

IUPACN-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCCC1C2CNCC2CN1CC(=O)NC(N)=O
InChIInChI=1S/C11H20N4O2/c1-2-9-8-4-13-3-7(8)5-15(9)6-10(16)14-11(12)17/h7-9,13H,2-6H2,1H3,(H3,12,14,16,17)
InChIKeyQUHTYNRZLIZWNV-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.89
Rot. Bonds3

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

N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (PubChem CID 66208752) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
PubChem CID66208752
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCCC1C2CNCC2CN1CC(=O)NC(N)=O
InChIInChI=1S/C11H20N4O2/c1-2-9-8-4-13-3-7(8)5-15(9)6-10(16)14-11(12)17/h7-9,13H,2-6H2,1H3,(H3,12,14,16,17)
InChIKeyQUHTYNRZLIZWNV-UHFFFAOYSA-N
XLogP-0.89
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (CID 66208752) is N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is CCC1C2CNCC2CN1CC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The InChIKey is QUHTYNRZLIZWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-9-8-4-13-3-7(8)5-15(9)6-10(16)14-11(12)17/h7-9,13H,2-6H2,1H3,(H3,12,14,16,17).
What are the key properties of N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide has a molecular weight of 240.31 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is sourced from PubChem (CID 66208752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).