1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione

C10H15NO4 — CID 59811752

IUPAC1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione
SMILESCOCOCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO4/c1-14-8-15-7-3-2-6-11-9(12)4-5-10(11)13/h4-5H,2-3,6-8H2,1H3
InChIKeyCOHFVSPOHRIFME-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.31
Rot. Bonds7

About 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione

1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione (PubChem CID 59811752) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione
PubChem CID59811752
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione
SMILESCOCOCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO4/c1-14-8-15-7-3-2-6-11-9(12)4-5-10(11)13/h4-5H,2-3,6-8H2,1H3
InChIKeyCOHFVSPOHRIFME-UHFFFAOYSA-N
XLogP0.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide
CID 14008509
2-Methylpropoxycarbonyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 15755510
1-(4-Methoxybutyl)pyrrole-2,5-dione
CID 19421210
1-[2-(Ethoxymethoxy)ethyl]pyrrole-2,5-dione
CID 20771184
1-(4-Methylperoxybutyl)pyrrole-2,5-dione
CID 20805365
4-Maleimidobutyraldehyde diethylacetal
CID 21829818
4-(2,5-Dioxopyrrol-1-yl)butyl acetate
CID 54400420
1-[3-(Methoxymethoxy)propyl]pyrrole-2,5-dione
CID 58601514
1-[2-(Methoxymethoxy)ethyl]pyrrole-2,5-dione
CID 59335541
1-(4-Ethoxybutyl)pyrrole-2,5-dione
CID 59811741
1-[6-(Methoxymethoxy)hexyl]pyrrole-2,5-dione
CID 59811762
1-[4,4-Bis(3-methoxypropoxy)butyl]pyrrole-2,5-dione
CID 59859133

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione (CID 59811752) is 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione is COCOCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione?
The InChIKey is COHFVSPOHRIFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-14-8-15-7-3-2-6-11-9(12)4-5-10(11)13/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione?
1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione has a molecular weight of 213.23 g/mol, XLogP of 0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethoxy)butyl]pyrrole-2,5-dione is sourced from PubChem (CID 59811752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).