5-propylpiperidine-2,4-dione

C8H13NO2 — CID 101447704

IUPAC5-propylpiperidine-2,4-dione
SMILESCCCC1CNC(=O)CC1=O
InChIInChI=1S/C8H13NO2/c1-2-3-6-5-9-8(11)4-7(6)10/h6H,2-5H2,1H3,(H,9,11)
InChIKeyJVMQHSIXQXMLFS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.49
Rot. Bonds2

About 5-propylpiperidine-2,4-dione

5-propylpiperidine-2,4-dione (PubChem CID 101447704) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-propylpiperidine-2,4-dione.

Molecular Properties

Compound Name5-propylpiperidine-2,4-dione
PubChem CID101447704
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-propylpiperidine-2,4-dione
SMILESCCCC1CNC(=O)CC1=O
InChIInChI=1S/C8H13NO2/c1-2-3-6-5-9-8(11)4-7(6)10/h6H,2-5H2,1H3,(H,9,11)
InChIKeyJVMQHSIXQXMLFS-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-ethylpiperidine-2,4-dione
CID 86318642
5-prop-2-enylpiperidine-2,4-dione
CID 90034636
1,1-dioxo-6-propyl-1,4-thiazinan-3-one
CID 91618765
5-(3-phenylmethoxypropyl)piperidine-2,4-dione
CID 69075313
5-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione
CID 163250074
(4S)-4-propylazetidin-2-one
CID 18603540
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
(5S)-5-ethylpiperazin-2-one
CID 93005355
7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione
CID 67943123
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
trans-(2S,6S)-2,6-dipropylcyclohexan-1-one
CID 12712312

Frequently Asked Questions

What is the IUPAC name of 5-propylpiperidine-2,4-dione?
The IUPAC name of 5-propylpiperidine-2,4-dione (CID 101447704) is 5-propylpiperidine-2,4-dione.
What is the SMILES notation for 5-propylpiperidine-2,4-dione?
The canonical SMILES for 5-propylpiperidine-2,4-dione is CCCC1CNC(=O)CC1=O.
What is the InChIKey of 5-propylpiperidine-2,4-dione?
The InChIKey is JVMQHSIXQXMLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-6-5-9-8(11)4-7(6)10/h6H,2-5H2,1H3,(H,9,11).
What are the key properties of 5-propylpiperidine-2,4-dione?
5-propylpiperidine-2,4-dione has a molecular weight of 155.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylpiperidine-2,4-dione is sourced from PubChem (CID 101447704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).