1-pyrrolidin-1-ylundecane-1,10-dione

C15H27NO2 — CID 15311432

IUPAC1-pyrrolidin-1-ylundecane-1,10-dione
SMILESCC(=O)CCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C15H27NO2/c1-14(17)10-6-4-2-3-5-7-11-15(18)16-12-8-9-13-16/h2-13H2,1H3
InChIKeyJCLDUOYAFYHIGN-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.32
Rot. Bonds9

About 1-pyrrolidin-1-ylundecane-1,10-dione

1-pyrrolidin-1-ylundecane-1,10-dione (PubChem CID 15311432) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylundecane-1,10-dione.

Molecular Properties

Compound Name1-pyrrolidin-1-ylundecane-1,10-dione
PubChem CID15311432
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-pyrrolidin-1-ylundecane-1,10-dione
SMILESCC(=O)CCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C15H27NO2/c1-14(17)10-6-4-2-3-5-7-11-15(18)16-12-8-9-13-16/h2-13H2,1H3
InChIKeyJCLDUOYAFYHIGN-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylundecane-1,10-dione?
The IUPAC name of 1-pyrrolidin-1-ylundecane-1,10-dione (CID 15311432) is 1-pyrrolidin-1-ylundecane-1,10-dione.
What is the SMILES notation for 1-pyrrolidin-1-ylundecane-1,10-dione?
The canonical SMILES for 1-pyrrolidin-1-ylundecane-1,10-dione is CC(=O)CCCCCCCCC(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylundecane-1,10-dione?
The InChIKey is JCLDUOYAFYHIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(17)10-6-4-2-3-5-7-11-15(18)16-12-8-9-13-16/h2-13H2,1H3.
What are the key properties of 1-pyrrolidin-1-ylundecane-1,10-dione?
1-pyrrolidin-1-ylundecane-1,10-dione has a molecular weight of 253.39 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylundecane-1,10-dione is sourced from PubChem (CID 15311432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).