1,11-dipyrrolidin-1-ylundecane-1,11-dione

C19H34N2O2 — CID 91705253

IUPAC1,11-dipyrrolidin-1-ylundecane-1,11-dione
SMILESO=C(CCCCCCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C19H34N2O2/c22-18(20-14-8-9-15-20)12-6-4-2-1-3-5-7-13-19(23)21-16-10-11-17-21/h1-17H2
InChIKeyOKSQMACTYXNPKY-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.74
Rot. Bonds10

About 1,11-dipyrrolidin-1-ylundecane-1,11-dione

1,11-dipyrrolidin-1-ylundecane-1,11-dione (PubChem CID 91705253) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1,11-dipyrrolidin-1-ylundecane-1,11-dione.

Molecular Properties

Compound Name1,11-dipyrrolidin-1-ylundecane-1,11-dione
PubChem CID91705253
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1,11-dipyrrolidin-1-ylundecane-1,11-dione
SMILESO=C(CCCCCCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C19H34N2O2/c22-18(20-14-8-9-15-20)12-6-4-2-1-3-5-7-13-19(23)21-16-10-11-17-21/h1-17H2
InChIKeyOKSQMACTYXNPKY-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.74
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 1,11-dipyrrolidin-1-ylundecane-1,11-dione?
The IUPAC name of 1,11-dipyrrolidin-1-ylundecane-1,11-dione (CID 91705253) is 1,11-dipyrrolidin-1-ylundecane-1,11-dione.
What is the SMILES notation for 1,11-dipyrrolidin-1-ylundecane-1,11-dione?
The canonical SMILES for 1,11-dipyrrolidin-1-ylundecane-1,11-dione is O=C(CCCCCCCCCC(=O)N1CCCC1)N1CCCC1.
What is the InChIKey of 1,11-dipyrrolidin-1-ylundecane-1,11-dione?
The InChIKey is OKSQMACTYXNPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c22-18(20-14-8-9-15-20)12-6-4-2-1-3-5-7-13-19(23)21-16-10-11-17-21/h1-17H2.
What are the key properties of 1,11-dipyrrolidin-1-ylundecane-1,11-dione?
1,11-dipyrrolidin-1-ylundecane-1,11-dione has a molecular weight of 322.49 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dipyrrolidin-1-ylundecane-1,11-dione is sourced from PubChem (CID 91705253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).