6-propylpiperidine-2,3-dione

C8H13NO2 — CID 153356626

IUPAC6-propylpiperidine-2,3-dione
SMILESCCCC1CCC(=O)C(=O)N1
InChIInChI=1S/C8H13NO2/c1-2-3-6-4-5-7(10)8(11)9-6/h6H,2-5H2,1H3,(H,9,11)
InChIKeyCHDNYWNTDWCGCM-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds2

About 6-propylpiperidine-2,3-dione

6-propylpiperidine-2,3-dione (PubChem CID 153356626) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 6-propylpiperidine-2,3-dione.

Molecular Properties

Compound Name6-propylpiperidine-2,3-dione
PubChem CID153356626
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name6-propylpiperidine-2,3-dione
SMILESCCCC1CCC(=O)C(=O)N1
InChIInChI=1S/C8H13NO2/c1-2-3-6-4-5-7(10)8(11)9-6/h6H,2-5H2,1H3,(H,9,11)
InChIKeyCHDNYWNTDWCGCM-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-propylazetidin-2-one
CID 18603540
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
(2R)-2,5-dipropylpyrrolidine
CID 143543976
2-oxo-6-propylpiperidine-4-carboxylic acid
CID 83636459
2-propylaziridine
CID 544792
5-(3,3-dimethylbutyl)pyrrolidin-2-one
CID 163551837
6-methyl-5-propylpiperidin-2-one
CID 176903708
5-but-3-ynylpyrrolidin-2-one
CID 15531515
1-(azetidin-3-yl)-4-propylimidazolidin-2-one
CID 116978882
1-[2-methyl-1-(methylamino)propan-2-yl]-4-propylimidazolidin-2-one
CID 116979895
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223
(2R)-2-propyl-1,2-dihydropyrrol-5-one
CID 56589945

Frequently Asked Questions

What is the IUPAC name of 6-propylpiperidine-2,3-dione?
The IUPAC name of 6-propylpiperidine-2,3-dione (CID 153356626) is 6-propylpiperidine-2,3-dione.
What is the SMILES notation for 6-propylpiperidine-2,3-dione?
The canonical SMILES for 6-propylpiperidine-2,3-dione is CCCC1CCC(=O)C(=O)N1.
What is the InChIKey of 6-propylpiperidine-2,3-dione?
The InChIKey is CHDNYWNTDWCGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-6-4-5-7(10)8(11)9-6/h6H,2-5H2,1H3,(H,9,11).
What are the key properties of 6-propylpiperidine-2,3-dione?
6-propylpiperidine-2,3-dione has a molecular weight of 155.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylpiperidine-2,3-dione is sourced from PubChem (CID 153356626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).