1,11-dipyrrolidin-1-ylundecan-1-one

C19H36N2O — CID 3022907

IUPAC1,11-dipyrrolidin-1-ylundecan-1-one
SMILESO=C(CCCCCCCCCCN1CCCC1)N1CCCC1
InChIInChI=1S/C19H36N2O/c22-19(21-17-11-12-18-21)13-7-5-3-1-2-4-6-8-14-20-15-9-10-16-20/h1-18H2
InChIKeyOSBBKIWWPCSOKN-UHFFFAOYSA-N
MW308.51 g/mol
LogP4.22
Rot. Bonds11

About 1,11-dipyrrolidin-1-ylundecan-1-one

1,11-dipyrrolidin-1-ylundecan-1-one (PubChem CID 3022907) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,11-dipyrrolidin-1-ylundecan-1-one.

Molecular Properties

Compound Name1,11-dipyrrolidin-1-ylundecan-1-one
PubChem CID3022907
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1,11-dipyrrolidin-1-ylundecan-1-one
SMILESO=C(CCCCCCCCCCN1CCCC1)N1CCCC1
InChIInChI=1S/C19H36N2O/c22-19(21-17-11-12-18-21)13-7-5-3-1-2-4-6-8-14-20-15-9-10-16-20/h1-18H2
InChIKeyOSBBKIWWPCSOKN-UHFFFAOYSA-N
XLogP4.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.22
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-ylundecan-1-one?
The IUPAC name of 1,11-dipyrrolidin-1-ylundecan-1-one (CID 3022907) is 1,11-dipyrrolidin-1-ylundecan-1-one.
What is the SMILES notation for 1,11-dipyrrolidin-1-ylundecan-1-one?
The canonical SMILES for 1,11-dipyrrolidin-1-ylundecan-1-one is O=C(CCCCCCCCCCN1CCCC1)N1CCCC1.
What is the InChIKey of 1,11-dipyrrolidin-1-ylundecan-1-one?
The InChIKey is OSBBKIWWPCSOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c22-19(21-17-11-12-18-21)13-7-5-3-1-2-4-6-8-14-20-15-9-10-16-20/h1-18H2.
What are the key properties of 1,11-dipyrrolidin-1-ylundecan-1-one?
1,11-dipyrrolidin-1-ylundecan-1-one has a molecular weight of 308.51 g/mol, XLogP of 4.22, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dipyrrolidin-1-ylundecan-1-one is sourced from PubChem (CID 3022907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).