1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione

C9H11NO2 — CID 115586418

IUPAC1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione
SMILESCC1CC1CN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO2/c1-6-4-7(6)5-10-8(11)2-3-9(10)12/h2-3,6-7H,4-5H2,1H3
InChIKeyZJURKNJEKSFNFS-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.57
Rot. Bonds2

About 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione

1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione (PubChem CID 115586418) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione
PubChem CID115586418
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione
SMILESCC1CC1CN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO2/c1-6-4-7(6)5-10-8(11)2-3-9(10)12/h2-3,6-7H,4-5H2,1H3
InChIKeyZJURKNJEKSFNFS-UHFFFAOYSA-N
XLogP0.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylcyclopropyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione (CID 115586418) is 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione is CC1CC1CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione?
The InChIKey is ZJURKNJEKSFNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-7(6)5-10-8(11)2-3-9(10)12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione?
1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione has a molecular weight of 165.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 115586418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).