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

C10H15N3O3 — CID 114513990

IUPAC2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide
SMILESCC1CC2C(=O)N(CC(=O)NN)C(=O)C2C1
InChIInChI=1S/C10H15N3O3/c1-5-2-6-7(3-5)10(16)13(9(6)15)4-8(14)12-11/h5-7H,2-4,11H2,1H3,(H,12,14)
InChIKeyADGUIHZHDKVZNC-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.99
Rot. Bonds2

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

2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide (PubChem CID 114513990) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide
PubChem CID114513990
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide
SMILESCC1CC2C(=O)N(CC(=O)NN)C(=O)C2C1
InChIInChI=1S/C10H15N3O3/c1-5-2-6-7(3-5)10(16)13(9(6)15)4-8(14)12-11/h5-7H,2-4,11H2,1H3,(H,12,14)
InChIKeyADGUIHZHDKVZNC-UHFFFAOYSA-N
XLogP-0.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide 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-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide?
The IUPAC name of 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide (CID 114513990) is 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide.
What is the SMILES notation for 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide?
The canonical SMILES for 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide is CC1CC2C(=O)N(CC(=O)NN)C(=O)C2C1.
What is the InChIKey of 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide?
The InChIKey is ADGUIHZHDKVZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-2-6-7(3-5)10(16)13(9(6)15)4-8(14)12-11/h5-7H,2-4,11H2,1H3,(H,12,14).
What are the key properties of 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide?
2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide has a molecular weight of 225.25 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetohydrazide is sourced from PubChem (CID 114513990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).