1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione

C10H16N2O3 — CID 123874538

IUPAC1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione
SMILESCC(CN)OCC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O3/c1-7(6-15-8(2)5-11)12-9(13)3-4-10(12)14/h3-4,7-8H,5-6,11H2,1-2H3
InChIKeyFSALJIRULXTRKC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.34
Rot. Bonds5

About 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione

1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione (PubChem CID 123874538) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione
PubChem CID123874538
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione
SMILESCC(CN)OCC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O3/c1-7(6-15-8(2)5-11)12-9(13)3-4-10(12)14/h3-4,7-8H,5-6,11H2,1-2H3
InChIKeyFSALJIRULXTRKC-UHFFFAOYSA-N
XLogP-0.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione
CID 90178729
1-(4-methoxybutan-2-yl)pyrrole-2,5-dione
CID 64606099
1-(5-hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 67068197
3-amino-2-(2,5-dioxopyrrol-1-yl)propanal;ethane
CID 145374973
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
3-amino-2-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide
CID 146319849
2-[2-(2-aminopropoxy)propoxy]propan-1-amine
CID 14122882
1-[(2S)-1-amino-5,5-dimethyl-3-oxohexan-2-yl]pyrrole-2,5-dione
CID 130376840
1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione
CID 177094546
3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide
CID 129198560
2-[2-(2-aminopropoxy)propoxy]propan-1-amine;methane
CID 159510670
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione
CID 21472969

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione (CID 123874538) is 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione is CC(CN)OCC(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione?
The InChIKey is FSALJIRULXTRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(6-15-8(2)5-11)12-9(13)3-4-10(12)14/h3-4,7-8H,5-6,11H2,1-2H3.
What are the key properties of 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione?
1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 123874538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).