1-pyrrolidin-1-yloctadecane-1,6-dione

C22H41NO2 — CID 537253

IUPAC1-pyrrolidin-1-yloctadecane-1,6-dione
SMILESCCCCCCCCCCCCC(=O)CCCCC(=O)N1CCCC1
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21(24)17-12-13-18-22(25)23-19-14-15-20-23/h2-20H2,1H3
InChIKeyZURMLYUPKZQPEP-UHFFFAOYSA-N
MW351.58 g/mol
LogP6.05
Rot. Bonds16

About 1-pyrrolidin-1-yloctadecane-1,6-dione

1-pyrrolidin-1-yloctadecane-1,6-dione (PubChem CID 537253) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is 1-pyrrolidin-1-yloctadecane-1,6-dione.

Molecular Properties

Compound Name1-pyrrolidin-1-yloctadecane-1,6-dione
PubChem CID537253
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name1-pyrrolidin-1-yloctadecane-1,6-dione
SMILESCCCCCCCCCCCCC(=O)CCCCC(=O)N1CCCC1
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21(24)17-12-13-18-22(25)23-19-14-15-20-23/h2-20H2,1H3
InChIKeyZURMLYUPKZQPEP-UHFFFAOYSA-N
XLogP6.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 56.05
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

N,N-Diethyldodecanamide
CID 18783
1-(1-Pyrrolidinyl)-1-hexadecanone
CID 247220
N,N-Dibutyldodecanamide
CID 219313
Pyrrolidine, 1-stearoyl-
CID 574659
N,N-dibutyldecanamide
CID 304086
Solapalmitine
CID 275969
N,N-Dipropyldecanamide
CID 90658
1-Dodecanoyl-2-pyrrolidinone
CID 95148
2-Pyrrolidinone, 1-(1-oxodecyl)-
CID 11021000
2-Pyrrolidinone, 1-(1-oxoheptyl)-
CID 14278922
1-(Pyrrolidin-1-yl)nonan-1-one
CID 246838
N,N-Diethyloctadecanamide
CID 575487

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yloctadecane-1,6-dione?
The IUPAC name of 1-pyrrolidin-1-yloctadecane-1,6-dione (CID 537253) is 1-pyrrolidin-1-yloctadecane-1,6-dione.
What is the SMILES notation for 1-pyrrolidin-1-yloctadecane-1,6-dione?
The canonical SMILES for 1-pyrrolidin-1-yloctadecane-1,6-dione is CCCCCCCCCCCCC(=O)CCCCC(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yloctadecane-1,6-dione?
The InChIKey is ZURMLYUPKZQPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21(24)17-12-13-18-22(25)23-19-14-15-20-23/h2-20H2,1H3.
What are the key properties of 1-pyrrolidin-1-yloctadecane-1,6-dione?
1-pyrrolidin-1-yloctadecane-1,6-dione has a molecular weight of 351.58 g/mol, XLogP of 6.05, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yloctadecane-1,6-dione is sourced from PubChem (CID 537253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).