1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione

C14H25N3O2 — CID 70866012

IUPAC1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione
SMILESCC(C)/C=C/CC1CC(=O)N(CCNCCN)C1=O
InChIInChI=1S/C14H25N3O2/c1-11(2)4-3-5-12-10-13(18)17(14(12)19)9-8-16-7-6-15/h3-4,11-12,16H,5-10,15H2,1-2H3/b4-3+
InChIKeyFYKRCMMAHXZBDT-ONEGZZNKSA-N
MW267.37 g/mol
LogP0.51
Rot. Bonds8

About 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione

1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione (PubChem CID 70866012) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione
PubChem CID70866012
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione
SMILESCC(C)/C=C/CC1CC(=O)N(CCNCCN)C1=O
InChIInChI=1S/C14H25N3O2/c1-11(2)4-3-5-12-10-13(18)17(14(12)19)9-8-16-7-6-15/h3-4,11-12,16H,5-10,15H2,1-2H3/b4-3+
InChIKeyFYKRCMMAHXZBDT-ONEGZZNKSA-N
XLogP0.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione (CID 70866012) is 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione is CC(C)/C=C/CC1CC(=O)N(CCNCCN)C1=O.
What is the InChIKey of 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is FYKRCMMAHXZBDT-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)4-3-5-12-10-13(18)17(14(12)19)9-8-16-7-6-15/h3-4,11-12,16H,5-10,15H2,1-2H3/b4-3+.
What are the key properties of 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione?
1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)ethyl]-3-[(E)-4-methylpent-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 70866012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).