1,12-dipyrrolidin-1-yldodecane-1,12-dione

C20H36N2O2 — CID 91705254

IUPAC1,12-dipyrrolidin-1-yldodecane-1,12-dione
SMILESO=C(CCCCCCCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C20H36N2O2/c23-19(21-15-9-10-16-21)13-7-5-3-1-2-4-6-8-14-20(24)22-17-11-12-18-22/h1-18H2
InChIKeyLCZPFUGUELSQCP-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.13
Rot. Bonds11

About 1,12-dipyrrolidin-1-yldodecane-1,12-dione

1,12-dipyrrolidin-1-yldodecane-1,12-dione (PubChem CID 91705254) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1,12-dipyrrolidin-1-yldodecane-1,12-dione.

Molecular Properties

Compound Name1,12-dipyrrolidin-1-yldodecane-1,12-dione
PubChem CID91705254
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name1,12-dipyrrolidin-1-yldodecane-1,12-dione
SMILESO=C(CCCCCCCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C20H36N2O2/c23-19(21-15-9-10-16-21)13-7-5-3-1-2-4-6-8-14-20(24)22-17-11-12-18-22/h1-18H2
InChIKeyLCZPFUGUELSQCP-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.13
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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Related Compounds

1-(1-Pyrrolidinyl)-1-hexadecanone
CID 247220
Pyrrolidine, 1-stearoyl-
CID 574659
Eicosanoic acid, pyrrolidide
CID 85783950
1-(Pyrrolidin-1-yl)dodecan-1-one
CID 246839
1,9-Nonanedioic acid, pyrrolidide
CID 247218
1-(Pyrrolidin-1-yl)tridecan-1-one
CID 304095
1,6-Bis(1-pyrrolidinyl)-1,6-hexanedione
CID 1812104
1-(Pyrrolidin-1-yl)tetradecan-1-one
CID 247219
Pyrrolidine, 1-(1-oxoheptadecyl)-
CID 574649
Pyrrolidine, 1-(1,6-dioxooctadecyl)-
CID 537253
1-Hexadecanoylpyrrolidin-2-one
CID 15208369
18-Fluoro-octadecanoic acid, pyrrolidide
CID 91705102

Frequently Asked Questions

What is the IUPAC name of 1,12-dipyrrolidin-1-yldodecane-1,12-dione?
The IUPAC name of 1,12-dipyrrolidin-1-yldodecane-1,12-dione (CID 91705254) is 1,12-dipyrrolidin-1-yldodecane-1,12-dione.
What is the SMILES notation for 1,12-dipyrrolidin-1-yldodecane-1,12-dione?
The canonical SMILES for 1,12-dipyrrolidin-1-yldodecane-1,12-dione is O=C(CCCCCCCCCCC(=O)N1CCCC1)N1CCCC1.
What is the InChIKey of 1,12-dipyrrolidin-1-yldodecane-1,12-dione?
The InChIKey is LCZPFUGUELSQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c23-19(21-15-9-10-16-21)13-7-5-3-1-2-4-6-8-14-20(24)22-17-11-12-18-22/h1-18H2.
What are the key properties of 1,12-dipyrrolidin-1-yldodecane-1,12-dione?
1,12-dipyrrolidin-1-yldodecane-1,12-dione has a molecular weight of 336.52 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-dipyrrolidin-1-yldodecane-1,12-dione is sourced from PubChem (CID 91705254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).