1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione

C10H17NO2 — CID 106329126

IUPAC1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione
SMILESCCC(C)(CC)N1CC(=O)CC1=O
InChIInChI=1S/C10H17NO2/c1-4-10(3,5-2)11-7-8(12)6-9(11)13/h4-7H2,1-3H3
InChIKeyJXWSSGINMHFWAF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.37
Rot. Bonds3

About 1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione

1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione (PubChem CID 106329126) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione
PubChem CID106329126
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione
SMILESCCC(C)(CC)N1CC(=O)CC1=O
InChIInChI=1S/C10H17NO2/c1-4-10(3,5-2)11-7-8(12)6-9(11)13/h4-7H2,1-3H3
InChIKeyJXWSSGINMHFWAF-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
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-(3-methylpentan-3-yl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione (CID 106329126) is 1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione is CCC(C)(CC)N1CC(=O)CC1=O.
What is the InChIKey of 1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione?
The InChIKey is JXWSSGINMHFWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-10(3,5-2)11-7-8(12)6-9(11)13/h4-7H2,1-3H3.
What are the key properties of 1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione?
1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione has a molecular weight of 183.25 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-(3-methylpentan-3-yl)pyrrolidine-2,4-dione is sourced from PubChem (CID 106329126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).