2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione

C15H25NO3 — CID 10730556

IUPAC2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione
SMILESCCCCCCCC(=O)C(C)C(=O)N1CCCC1=O
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-9-13(17)12(2)15(19)16-11-8-10-14(16)18/h12H,3-11H2,1-2H3
InChIKeyWRNPMTBFBAAFJS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.70
Rot. Bonds8

About 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione

2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione (PubChem CID 10730556) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione.

Molecular Properties

Compound Name2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione
PubChem CID10730556
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione
SMILESCCCCCCCC(=O)C(C)C(=O)N1CCCC1=O
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-9-13(17)12(2)15(19)16-11-8-10-14(16)18/h12H,3-11H2,1-2H3
InChIKeyWRNPMTBFBAAFJS-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione?
The IUPAC name of 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione (CID 10730556) is 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione.
What is the SMILES notation for 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione?
The canonical SMILES for 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione is CCCCCCCC(=O)C(C)C(=O)N1CCCC1=O.
What is the InChIKey of 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione?
The InChIKey is WRNPMTBFBAAFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-4-5-6-7-9-13(17)12(2)15(19)16-11-8-10-14(16)18/h12H,3-11H2,1-2H3.
What are the key properties of 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione?
2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione has a molecular weight of 267.37 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione is sourced from PubChem (CID 10730556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).