2-methyl-1-pyrrolidin-1-yldecane-1,3-dione

C15H27NO2 — CID 10682323

IUPAC2-methyl-1-pyrrolidin-1-yldecane-1,3-dione
SMILESCCCCCCCC(=O)C(C)C(=O)N1CCCC1
InChIInChI=1S/C15H27NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h13H,3-12H2,1-2H3
InChIKeyQRKWPHFDJCBGEI-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.17
Rot. Bonds8

About 2-methyl-1-pyrrolidin-1-yldecane-1,3-dione

2-methyl-1-pyrrolidin-1-yldecane-1,3-dione (PubChem CID 10682323) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-1-yldecane-1,3-dione.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-1-yldecane-1,3-dione
PubChem CID10682323
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-methyl-1-pyrrolidin-1-yldecane-1,3-dione
SMILESCCCCCCCC(=O)C(C)C(=O)N1CCCC1
InChIInChI=1S/C15H27NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h13H,3-12H2,1-2H3
InChIKeyQRKWPHFDJCBGEI-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pyrrolidin-1-yldecane-1,3-dione?
The IUPAC name of 2-methyl-1-pyrrolidin-1-yldecane-1,3-dione (CID 10682323) is 2-methyl-1-pyrrolidin-1-yldecane-1,3-dione.
What is the SMILES notation for 2-methyl-1-pyrrolidin-1-yldecane-1,3-dione?
The canonical SMILES for 2-methyl-1-pyrrolidin-1-yldecane-1,3-dione is CCCCCCCC(=O)C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-methyl-1-pyrrolidin-1-yldecane-1,3-dione?
The InChIKey is QRKWPHFDJCBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h13H,3-12H2,1-2H3.
What are the key properties of 2-methyl-1-pyrrolidin-1-yldecane-1,3-dione?
2-methyl-1-pyrrolidin-1-yldecane-1,3-dione has a molecular weight of 253.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-1-yldecane-1,3-dione is sourced from PubChem (CID 10682323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).