1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione

C10H17N3O2 — CID 20666018

IUPAC1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione
SMILESCNCCCNCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H17N3O2/c1-11-5-2-6-12-7-8-13-9(14)3-4-10(13)15/h3-4,11-12H,2,5-8H2,1H3
InChIKeyQDCJYHUWGUNVTF-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.89
Rot. Bonds7

About 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione

1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione (PubChem CID 20666018) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione
PubChem CID20666018
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione
SMILESCNCCCNCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H17N3O2/c1-11-5-2-6-12-7-8-13-9(14)3-4-10(13)15/h3-4,11-12H,2,5-8H2,1H3
InChIKeyQDCJYHUWGUNVTF-UHFFFAOYSA-N
XLogP-0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione (CID 20666018) is 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione is CNCCCNCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione?
The InChIKey is QDCJYHUWGUNVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-11-5-2-6-12-7-8-13-9(14)3-4-10(13)15/h3-4,11-12H,2,5-8H2,1H3.
What are the key properties of 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione?
1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of -0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methylamino)propylamino]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 20666018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).