1-pyrrolidin-1-ylnonane-1,2-dione

C13H23NO2 — CID 86185611

IUPAC1-pyrrolidin-1-ylnonane-1,2-dione
SMILESCCCCCCCC(=O)C(=O)N1CCCC1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-6-9-12(15)13(16)14-10-7-8-11-14/h2-11H2,1H3
InChIKeyFIGKHGBRIPYWGZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.54
Rot. Bonds7

About 1-pyrrolidin-1-ylnonane-1,2-dione

1-pyrrolidin-1-ylnonane-1,2-dione (PubChem CID 86185611) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylnonane-1,2-dione.

Molecular Properties

Compound Name1-pyrrolidin-1-ylnonane-1,2-dione
PubChem CID86185611
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-pyrrolidin-1-ylnonane-1,2-dione
SMILESCCCCCCCC(=O)C(=O)N1CCCC1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-6-9-12(15)13(16)14-10-7-8-11-14/h2-11H2,1H3
InChIKeyFIGKHGBRIPYWGZ-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-Pyrrolidinyl)-1-hexadecanone
CID 247220
Pyrrolidine, 1-stearoyl-
CID 574659
1-Dodecanoyl-2-pyrrolidinone
CID 95148
2-Pyrrolidinone, 1-(1-oxodecyl)-
CID 11021000
2-Pyrrolidinone, 1-(1-oxoheptyl)-
CID 14278922
1-Pyrrolidin-1-ylnonan-1-one
CID 246838
N-(Decanoyl)pyrrolidine
CID 3512002
Caprylyl pyrrolidone
CID 10560451
Eicosanoic acid, pyrrolidide
CID 85783950
1-(Pyrrolidin-1-yl)dodecan-1-one
CID 246839
N-octanoylpyrrolidine
CID 246836
1-(Pyrrolidin-1-yl)tridecan-1-one
CID 304095

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylnonane-1,2-dione?
The IUPAC name of 1-pyrrolidin-1-ylnonane-1,2-dione (CID 86185611) is 1-pyrrolidin-1-ylnonane-1,2-dione.
What is the SMILES notation for 1-pyrrolidin-1-ylnonane-1,2-dione?
The canonical SMILES for 1-pyrrolidin-1-ylnonane-1,2-dione is CCCCCCCC(=O)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylnonane-1,2-dione?
The InChIKey is FIGKHGBRIPYWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-4-5-6-9-12(15)13(16)14-10-7-8-11-14/h2-11H2,1H3.
What are the key properties of 1-pyrrolidin-1-ylnonane-1,2-dione?
1-pyrrolidin-1-ylnonane-1,2-dione has a molecular weight of 225.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylnonane-1,2-dione is sourced from PubChem (CID 86185611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).