1-(4-methoxybutyl)pyrrolidine-2,5-dione

C9H15NO3 — CID 139959488

IUPAC1-(4-methoxybutyl)pyrrolidine-2,5-dione
SMILESCOCCCCN1C(=O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-13-7-3-2-6-10-8(11)4-5-9(10)12/h2-7H2,1H3
InChIKeyGXVQDOZWONYHNX-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds5

About 1-(4-methoxybutyl)pyrrolidine-2,5-dione

1-(4-methoxybutyl)pyrrolidine-2,5-dione (PubChem CID 139959488) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(4-methoxybutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxybutyl)pyrrolidine-2,5-dione
PubChem CID139959488
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(4-methoxybutyl)pyrrolidine-2,5-dione
SMILESCOCCCCN1C(=O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-13-7-3-2-6-10-8(11)4-5-9(10)12/h2-7H2,1H3
InChIKeyGXVQDOZWONYHNX-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylsuccinimide
CID 16842
1-Butylpyrrolidine-2,5-dione
CID 137956
5-Methoxy-1-methylpyrrolidin-2-one
CID 11423602
1-Butanoylpyrrolidin-2-one
CID 242155
N-Propylsuccinimide
CID 18983
Ethyl 2-oxopyrrolidine-1-carboxylate
CID 234959
1-Methyl-5-hydroperoxypyrrolidine-2-one
CID 11083917
1-(2-Methoxypyrrolidin-1-yl)ethan-1-one
CID 12711205
4-(2,5-Dioxopyrrolidin-1-yl)butanal
CID 11126683
1-(1-Ethoxyethyl)pyrrolidin-2-one
CID 12432238
1-(1-Butoxyethyl)-2-pyrrolidinone
CID 13827422
N-(butoxymethyl)pyrrolidone
CID 15279822

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxybutyl)pyrrolidine-2,5-dione (CID 139959488) is 1-(4-methoxybutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxybutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxybutyl)pyrrolidine-2,5-dione is COCCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-(4-methoxybutyl)pyrrolidine-2,5-dione?
The InChIKey is GXVQDOZWONYHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-7-3-2-6-10-8(11)4-5-9(10)12/h2-7H2,1H3.
What are the key properties of 1-(4-methoxybutyl)pyrrolidine-2,5-dione?
1-(4-methoxybutyl)pyrrolidine-2,5-dione has a molecular weight of 185.22 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 139959488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).