3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione

C11H18NO3- — CID 91092473

IUPAC3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione
SMILES[CH2-]C1CC(=O)N(CCCC(C)OC)C1=O
InChIInChI=1S/C11H18NO3/c1-8-7-10(13)12(11(8)14)6-4-5-9(2)15-3/h8-9H,1,4-7H2,2-3H3/q-1
InChIKeyKCBKKMLPPJQCPB-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.01
Rot. Bonds5

About 3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione

3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione (PubChem CID 91092473) has the molecular formula C11H18NO3- and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione
PubChem CID91092473
Molecular FormulaC11H18NO3-
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione
SMILES[CH2-]C1CC(=O)N(CCCC(C)OC)C1=O
InChIInChI=1S/C11H18NO3/c1-8-7-10(13)12(11(8)14)6-4-5-9(2)15-3/h8-9H,1,4-7H2,2-3H3/q-1
InChIKeyKCBKKMLPPJQCPB-UHFFFAOYSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.01
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-(4-methoxypentyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione (CID 91092473) is 3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione is [CH2-]C1CC(=O)N(CCCC(C)OC)C1=O.
What is the InChIKey of 3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione?
The InChIKey is KCBKKMLPPJQCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3/c1-8-7-10(13)12(11(8)14)6-4-5-9(2)15-3/h8-9H,1,4-7H2,2-3H3/q-1.
What are the key properties of 3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione?
3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione has a molecular weight of 212.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 91092473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).