3-methanidyl-1-methoxypyrrolidine-2,5-dione

C6H8NO3- — CID 90919377

IUPAC3-methanidyl-1-methoxypyrrolidine-2,5-dione
SMILES[CH2-]C1CC(=O)N(OC)C1=O
InChIInChI=1S/C6H8NO3/c1-4-3-5(8)7(10-2)6(4)9/h4H,1,3H2,2H3/q-1
InChIKeyOXJQJAVYNSYNDS-UHFFFAOYSA-N
MW142.13 g/mol
LogP-0.24
Rot. Bonds1

About 3-methanidyl-1-methoxypyrrolidine-2,5-dione

3-methanidyl-1-methoxypyrrolidine-2,5-dione (PubChem CID 90919377) has the molecular formula C6H8NO3- and a molecular weight of 142.13 g/mol. Its IUPAC name is 3-methanidyl-1-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methanidyl-1-methoxypyrrolidine-2,5-dione
PubChem CID90919377
Molecular FormulaC6H8NO3-
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name3-methanidyl-1-methoxypyrrolidine-2,5-dione
SMILES[CH2-]C1CC(=O)N(OC)C1=O
InChIInChI=1S/C6H8NO3/c1-4-3-5(8)7(10-2)6(4)9/h4H,1,3H2,2H3/q-1
InChIKeyOXJQJAVYNSYNDS-UHFFFAOYSA-N
XLogP-0.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methanidyl-1-methoxypyrrolidine-2,5-dione?
The IUPAC name of 3-methanidyl-1-methoxypyrrolidine-2,5-dione (CID 90919377) is 3-methanidyl-1-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-methanidyl-1-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 3-methanidyl-1-methoxypyrrolidine-2,5-dione is [CH2-]C1CC(=O)N(OC)C1=O.
What is the InChIKey of 3-methanidyl-1-methoxypyrrolidine-2,5-dione?
The InChIKey is OXJQJAVYNSYNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO3/c1-4-3-5(8)7(10-2)6(4)9/h4H,1,3H2,2H3/q-1.
What are the key properties of 3-methanidyl-1-methoxypyrrolidine-2,5-dione?
3-methanidyl-1-methoxypyrrolidine-2,5-dione has a molecular weight of 142.13 g/mol, XLogP of -0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanidyl-1-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 90919377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).