3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide

C11H16N2O3 — CID 114513834

IUPAC3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
SMILESCC1CC2C(=O)N(CCC(N)=O)C(=O)C2C1
InChIInChI=1S/C11H16N2O3/c1-6-4-7-8(5-6)11(16)13(10(7)15)3-2-9(12)14/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyZHNCCXQEIJPDGG-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.11
Rot. Bonds3

About 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide

3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide (PubChem CID 114513834) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
PubChem CID114513834
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
SMILESCC1CC2C(=O)N(CCC(N)=O)C(=O)C2C1
InChIInChI=1S/C11H16N2O3/c1-6-4-7-8(5-6)11(16)13(10(7)15)3-2-9(12)14/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyZHNCCXQEIJPDGG-UHFFFAOYSA-N
XLogP-0.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
CID 114513836
2-(5-aminopentyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391513
2-(2-bromoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512941
2,2-dimethyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanethioamide
CID 114513551
3-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide
CID 6924586
2-(5-bromopentyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512925
2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide
CID 114513990
2-(5-amino-4,4-dimethylpentyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512557
5-methyl-2-[2-(propylamino)ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392886
N-(3-amino-3-sulfanylidenepropyl)-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-methylpropanamide
CID 64834739
ethyl 4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-3-oxobutanoate
CID 114513604
ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 166462605

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide?
The IUPAC name of 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide (CID 114513834) is 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide.
What is the SMILES notation for 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide?
The canonical SMILES for 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide is CC1CC2C(=O)N(CCC(N)=O)C(=O)C2C1.
What is the InChIKey of 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide?
The InChIKey is ZHNCCXQEIJPDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-4-7-8(5-6)11(16)13(10(7)15)3-2-9(12)14/h6-8H,2-5H2,1H3,(H2,12,14).
What are the key properties of 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide?
3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide has a molecular weight of 224.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide is sourced from PubChem (CID 114513834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).