1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione

C9H12N2O2 — CID 65194125

IUPAC1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione
SMILESNCC(C1CC1)N1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O2/c10-5-7(6-1-2-6)11-8(12)3-4-9(11)13/h3-4,6-7H,1-2,5,10H2
InChIKeyPIESOUZCNYZGTD-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.35
Rot. Bonds3

About 1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione

1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione (PubChem CID 65194125) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione
PubChem CID65194125
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione
SMILESNCC(C1CC1)N1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O2/c10-5-7(6-1-2-6)11-8(12)3-4-9(11)13/h3-4,6-7H,1-2,5,10H2
InChIKeyPIESOUZCNYZGTD-UHFFFAOYSA-N
XLogP-0.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.35
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-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione (CID 65194125) is 1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione is NCC(C1CC1)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione?
The InChIKey is PIESOUZCNYZGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-5-7(6-1-2-6)11-8(12)3-4-9(11)13/h3-4,6-7H,1-2,5,10H2.
What are the key properties of 1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione?
1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione has a molecular weight of 180.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 65194125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).