1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione

C11H19NO3 — CID 106007732

IUPAC1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione
SMILESCC(C)OCCCCN1CC(=O)CC1=O
InChIInChI=1S/C11H19NO3/c1-9(2)15-6-4-3-5-12-8-10(13)7-11(12)14/h9H,3-8H2,1-2H3
InChIKeyWDJSGSHCSKBIDZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.99
Rot. Bonds6

About 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione

1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione (PubChem CID 106007732) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione
PubChem CID106007732
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione
SMILESCC(C)OCCCCN1CC(=O)CC1=O
InChIInChI=1S/C11H19NO3/c1-9(2)15-6-4-3-5-12-8-10(13)7-11(12)14/h9H,3-8H2,1-2H3
InChIKeyWDJSGSHCSKBIDZ-UHFFFAOYSA-N
XLogP0.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-propoxypropyl)pyrrolidine-2,4-dione
CID 82944259
1-(3-methylsulfanylpropyl)pyrrolidine-2,4-dione
CID 79517091
2-(4-propan-2-yloxybutyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106009063
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid
CID 50981461
1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 19880482
1-(4-methoxybutyl)piperidine-2,4-dione
CID 79517353
3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one
CID 106008612
1,6-di(propan-2-yloxy)hexane
CID 10899702
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 103601173
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
CID 168711091

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione (CID 106007732) is 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione is CC(C)OCCCCN1CC(=O)CC1=O.
What is the InChIKey of 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione?
The InChIKey is WDJSGSHCSKBIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2)15-6-4-3-5-12-8-10(13)7-11(12)14/h9H,3-8H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione?
1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione has a molecular weight of 213.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxybutyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 106007732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).