3-(6-aminohexylidene)pyrrolidine-2,5-dione

C10H16N2O2 — CID 151355046

IUPAC3-(6-aminohexylidene)pyrrolidine-2,5-dione
SMILESNCCCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C10H16N2O2/c11-6-4-2-1-3-5-8-7-9(13)12-10(8)14/h5H,1-4,6-7,11H2,(H,12,13,14)
InChIKeyONHNYMJTLCAWEN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.48
Rot. Bonds5

About 3-(6-aminohexylidene)pyrrolidine-2,5-dione

3-(6-aminohexylidene)pyrrolidine-2,5-dione (PubChem CID 151355046) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(6-aminohexylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-aminohexylidene)pyrrolidine-2,5-dione
PubChem CID151355046
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(6-aminohexylidene)pyrrolidine-2,5-dione
SMILESNCCCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C10H16N2O2/c11-6-4-2-1-3-5-8-7-9(13)12-10(8)14/h5H,1-4,6-7,11H2,(H,12,13,14)
InChIKeyONHNYMJTLCAWEN-UHFFFAOYSA-N
XLogP0.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(6-aminohexylidene)pyrrolidine-2,5-dione 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

Aminoethylmaleimide
CID 66887284
(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154709685
(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide
CID 154710873
(3E)-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)-N-(2-methylpropyl)propanamide
CID 154711077
(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711150
(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711264
2-Aminobutyl maleimide
CID 162540267
3-(6-Aminohexyl)pyrrole-2,5-dione
CID 17845332
3-Pentylidenepyrrolidine-2,5-dione
CID 54234486
3-Nonylidenepyrrolidine-2,5-dione
CID 54243610
3-Tridecylidenepyrrolidine-2,5-dione
CID 56992550
3-Butylidenesuccinimide
CID 57055835

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminohexylidene)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-aminohexylidene)pyrrolidine-2,5-dione (CID 151355046) is 3-(6-aminohexylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-aminohexylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-aminohexylidene)pyrrolidine-2,5-dione is NCCCCCC=C1CC(=O)NC1=O.
What is the InChIKey of 3-(6-aminohexylidene)pyrrolidine-2,5-dione?
The InChIKey is ONHNYMJTLCAWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-6-4-2-1-3-5-8-7-9(13)12-10(8)14/h5H,1-4,6-7,11H2,(H,12,13,14).
What are the key properties of 3-(6-aminohexylidene)pyrrolidine-2,5-dione?
3-(6-aminohexylidene)pyrrolidine-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminohexylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 151355046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).