1-(3-aminopropyl)pyrrole-2,5-dione

C7H10N2O2 — CID 22377079

IUPAC1-(3-aminopropyl)pyrrole-2,5-dione
SMILESNCCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h2-3H,1,4-5,8H2
InChIKeyFTJIGEWXCQPKBV-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.74
Rot. Bonds3

About 1-(3-aminopropyl)pyrrole-2,5-dione

1-(3-aminopropyl)pyrrole-2,5-dione (PubChem CID 22377079) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)pyrrole-2,5-dione
PubChem CID22377079
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(3-aminopropyl)pyrrole-2,5-dione
SMILESNCCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h2-3H,1,4-5,8H2
InChIKeyFTJIGEWXCQPKBV-UHFFFAOYSA-N
XLogP-0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-aminopropyl)pyrrole-2,5-dione (CID 22377079) is 1-(3-aminopropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-aminopropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-aminopropyl)pyrrole-2,5-dione is NCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(3-aminopropyl)pyrrole-2,5-dione?
The InChIKey is FTJIGEWXCQPKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h2-3H,1,4-5,8H2.
What are the key properties of 1-(3-aminopropyl)pyrrole-2,5-dione?
1-(3-aminopropyl)pyrrole-2,5-dione has a molecular weight of 154.17 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyrrole-2,5-dione is sourced from PubChem (CID 22377079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).