1,8-dipyrrolidin-1-yloctane-1,8-dione

C16H28N2O2 — CID 14040378

IUPAC1,8-dipyrrolidin-1-yloctane-1,8-dione
SMILESO=C(CCCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C16H28N2O2/c19-15(17-11-5-6-12-17)9-3-1-2-4-10-16(20)18-13-7-8-14-18/h1-14H2
InChIKeyLJHRQILULXVSTQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.57
Rot. Bonds7

About 1,8-dipyrrolidin-1-yloctane-1,8-dione

1,8-dipyrrolidin-1-yloctane-1,8-dione (PubChem CID 14040378) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1,8-dipyrrolidin-1-yloctane-1,8-dione.

Molecular Properties

Compound Name1,8-dipyrrolidin-1-yloctane-1,8-dione
PubChem CID14040378
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1,8-dipyrrolidin-1-yloctane-1,8-dione
SMILESO=C(CCCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C16H28N2O2/c19-15(17-11-5-6-12-17)9-3-1-2-4-10-16(20)18-13-7-8-14-18/h1-14H2
InChIKeyLJHRQILULXVSTQ-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.57
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
(S)-1-(2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl)octan-1-one
CID 10085837
1-Dodecanoyl-2-pyrrolidinone
CID 95148
1-Pyrrolidin-1-ylnonan-1-one
CID 246838
N-(Decanoyl)pyrrolidine
CID 3512002
Eicosanoic acid, pyrrolidide
CID 85783950
1-(Pyrrolidin-1-yl)dodecan-1-one
CID 246839
1,9-Nonanedioic acid, pyrrolidide
CID 247218
N-octanoylpyrrolidine
CID 246836
1-(Pyrrolidin-1-yl)tridecan-1-one
CID 304095
1,6-Bis(1-pyrrolidinyl)-1,6-hexanedione
CID 1812104

Frequently Asked Questions

What is the IUPAC name of 1,8-dipyrrolidin-1-yloctane-1,8-dione?
The IUPAC name of 1,8-dipyrrolidin-1-yloctane-1,8-dione (CID 14040378) is 1,8-dipyrrolidin-1-yloctane-1,8-dione.
What is the SMILES notation for 1,8-dipyrrolidin-1-yloctane-1,8-dione?
The canonical SMILES for 1,8-dipyrrolidin-1-yloctane-1,8-dione is O=C(CCCCCCC(=O)N1CCCC1)N1CCCC1.
What is the InChIKey of 1,8-dipyrrolidin-1-yloctane-1,8-dione?
The InChIKey is LJHRQILULXVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-15(17-11-5-6-12-17)9-3-1-2-4-10-16(20)18-13-7-8-14-18/h1-14H2.
What are the key properties of 1,8-dipyrrolidin-1-yloctane-1,8-dione?
1,8-dipyrrolidin-1-yloctane-1,8-dione has a molecular weight of 280.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dipyrrolidin-1-yloctane-1,8-dione is sourced from PubChem (CID 14040378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).