1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione

C12H17NO2 — CID 130680267

IUPAC1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(C(C2CCC2)C2CC2)C1
InChIInChI=1S/C12H17NO2/c14-10-6-11(15)13(7-10)12(9-4-5-9)8-2-1-3-8/h8-9,12H,1-7H2
InChIKeyLMMAOFCINITLQJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.37
Rot. Bonds3

About 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione

1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione (PubChem CID 130680267) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione
PubChem CID130680267
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(C(C2CCC2)C2CC2)C1
InChIInChI=1S/C12H17NO2/c14-10-6-11(15)13(7-10)12(9-4-5-9)8-2-1-3-8/h8-9,12H,1-7H2
InChIKeyLMMAOFCINITLQJ-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione (CID 130680267) is 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione is O=C1CC(=O)N(C(C2CCC2)C2CC2)C1.
What is the InChIKey of 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione?
The InChIKey is LMMAOFCINITLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-10-6-11(15)13(7-10)12(9-4-5-9)8-2-1-3-8/h8-9,12H,1-7H2.
What are the key properties of 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione?
1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione has a molecular weight of 207.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(cyclopropyl)methyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 130680267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).