3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione

C10H17N3O2 — CID 66216126

IUPAC3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione
SMILESCCCN(C1CNC1)C1CC(=O)NC1=O
InChIInChI=1S/C10H17N3O2/c1-2-3-13(7-5-11-6-7)8-4-9(14)12-10(8)15/h7-8,11H,2-6H2,1H3,(H,12,14,15)
InChIKeyAZNGNTNVFVXEBE-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.91
Rot. Bonds4

About 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione

3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione (PubChem CID 66216126) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione
PubChem CID66216126
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione
SMILESCCCN(C1CNC1)C1CC(=O)NC1=O
InChIInChI=1S/C10H17N3O2/c1-2-3-13(7-5-11-6-7)8-4-9(14)12-10(8)15/h7-8,11H,2-6H2,1H3,(H,12,14,15)
InChIKeyAZNGNTNVFVXEBE-UHFFFAOYSA-N
XLogP-0.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-propylazetidin-3-amine
CID 66183284
3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane
CID 144561873
N-(4-ethylcyclohexyl)-N-propylazetidin-3-amine
CID 66183278
N-(4-methylcycloheptyl)-N-propylazetidin-3-amine
CID 66182876
ethane;propane;3-sulfanylpyrrolidine-2,5-dione
CID 144975396
3-[azetidin-3-yl(ethyl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313807
N-(2-fluoro-6-nitrophenyl)-N-propylazetidin-3-amine
CID 112740791
ethane;N-methyl-N-propylazetidin-3-amine
CID 144899605
N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine
CID 81315317
2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248
2-[cyclopropyl(propyl)amino]cyclopentan-1-one
CID 43795493
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione
CID 114952741

Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione (CID 66216126) is 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione is CCCN(C1CNC1)C1CC(=O)NC1=O.
What is the InChIKey of 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione?
The InChIKey is AZNGNTNVFVXEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-13(7-5-11-6-7)8-4-9(14)12-10(8)15/h7-8,11H,2-6H2,1H3,(H,12,14,15).
What are the key properties of 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione?
3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 66216126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).